data_2lp3_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 2lp3 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.703 0.287 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -62.1 -35.61 79.24 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.686 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.423 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 33.5 tp -58.67 -39.37 80.48 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.794 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.4 -40.63 87.23 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 119.709 -0.796 . . . . 0.0 109.117 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.0 m -65.29 -39.11 92.11 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.181 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.53 93.39 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.682 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.3 mtm -57.99 -40.3 80.37 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 118.573 -1.251 . . . . 0.0 108.375 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.594 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.7 mt-10 -66.7 -36.16 81.85 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.234 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.2 m -61.11 -43.41 98.93 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.364 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.37 -45.61 92.89 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.46 0.648 . . . . 0.0 111.07 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.7 mt -68.14 -41.41 84.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.973 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.594 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 86.7 m-20 -60.1 -40.57 90.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.472 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 m -74.9 -38.02 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.619 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CE2' ' O ' ' A' ' 25' ' ' LYS . 90.5 t80 -60.29 -45.31 93.81 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.195 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.92 -44.32 91.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.467 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.04 -51.65 36.78 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.467 ' CG ' ' CD2' ' A' ' 36' ' ' LEU . 90.9 m-70 -65.47 -48.42 72.74 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.3 m -59.55 -34.97 73.35 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.44 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.34 -27.35 60.47 Favored Glycine 0 CA--C 1.524 0.595 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.656 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -55.76 -38.94 70.53 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 119.996 -0.681 . . . . 0.0 110.887 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.487 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 94.5 mt-10 -140.06 142.83 36.14 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.378 0.609 . . . . 0.0 111.911 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.81 -148.24 45.57 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.437 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -83.51 133.24 34.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.53 -0.835 . . . . 0.0 111.28 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.582 ' O ' ' CE2' ' A' ' 15' ' ' PHE . 67.6 mttm -56.28 -38.86 71.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.738 0.78 . . . . 0.0 109.363 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.579 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 m-30 -71.56 -19.33 62.17 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.875 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.605 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 39.2 tptt -112.29 134.18 53.98 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.404 HD21 ' N ' ' A' ' 29' ' ' SER . 0.6 OUTLIER -101.83 130.63 48.32 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.755 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.404 ' N ' HD21 ' A' ' 28' ' ' LEU . 82.8 p -100.52 160.01 14.69 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -56.4 -40.65 75.0 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.215 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' NZ ' ' OE2' ' A' ' 22' ' ' GLU . 81.2 tttt -60.84 -49.15 78.64 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 119.073 -1.051 . . . . 0.0 110.589 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.487 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 98.4 mt-10 -62.61 -38.38 89.95 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.435 -177.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.29 -44.91 95.44 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.221 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.591 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 4.9 tptp -60.31 -42.28 95.22 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.812 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -70.26 -38.88 75.21 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.384 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD2' ' CG ' ' A' ' 18' ' ' HIS . 93.6 mt -66.36 -48.15 71.12 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.53 -0.868 . . . . 0.0 112.006 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.7 mt -68.85 -44.07 74.12 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 118.94 -1.104 . . . . 0.0 110.792 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.591 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.3 tt0 -64.38 -42.24 96.25 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.486 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.4 t -83.46 -46.62 12.28 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.419 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.486 ' N ' ' CG2' ' A' ' 39' ' ' THR . 96.5 mt-10 -73.16 -34.23 65.92 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 119.771 -0.772 . . . . 0.0 111.637 -178.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mp -123.23 48.16 1.87 Allowed 'General case' 0 C--O 1.236 0.392 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.613 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.496 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 19.8 m -54.29 -33.72 59.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.898 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.77 -65.88 1.53 Allowed Glycine 0 CA--C 1.531 1.085 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.461 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -58.45 -43.56 88.87 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.677 ' O ' ' N ' ' A' ' 47' ' ' ALA . 8.8 mp -96.36 -1.33 47.94 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.542 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 56.0 p30 -18.92 76.56 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.977 0.894 . . . . 0.0 112.668 -177.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -65.44 -20.15 66.24 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.474 -1.239 . . . . 0.0 111.347 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -54.3 -35.94 63.17 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.149 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.506 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 13.4 mtpp -59.54 -35.52 74.36 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.81 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.8 m-20 -140.08 91.32 2.45 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.658 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.51 -39.5 83.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.035 0.445 . . . . 0.0 110.553 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -55.89 -33.14 64.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.88 -28.88 64.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.089 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.71 -44.18 80.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.54 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 58' ' ' MET . 90.2 m-20 -61.63 -40.79 96.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.492 0.663 . . . . 0.0 110.196 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -60.74 -39.94 90.53 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.033 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.9 t -67.29 -44.92 87.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.077 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.532 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 ppp? -62.99 -37.14 85.97 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 58' ' ' MET . 49.0 tptt -57.74 -41.47 81.95 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.239 -178.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.99 -37.13 85.15 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.574 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.8 mt -67.02 -37.95 85.06 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.493 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 39.8 t0 -78.32 86.12 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.135 -1.026 . . . . 0.0 112.138 -178.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -66.68 -38.85 87.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.881 0.848 . . . . 0.0 109.323 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -59.08 -36.93 75.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.048 -1.433 . . . . 0.0 112.064 -178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.6 4.07 70.7 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 108.255 -1.938 . . . . 0.0 108.255 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.664 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.8 p30 -62.17 -33.11 73.89 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 114.228 -0.986 . . . . 0.0 112.48 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.664 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.83 -5.17 59.66 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 82.8 tt0 -117.33 145.29 44.12 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.9 t -104.72 134.47 46.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.53 0.681 . . . . 0.0 112.8 -176.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.605 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 82.0 m-20 -99.62 152.27 20.24 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.985 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.512 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 77.6 t80 -54.84 -39.59 68.73 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.043 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -56.29 -40.59 74.55 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.199 -0.601 . . . . 0.0 109.88 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.67 -40.22 84.44 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.414 0.626 . . . . 0.0 110.237 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -63.67 -42.51 98.03 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.442 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 29.9 m -63.83 -36.29 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.009 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.0 t -63.44 -45.37 98.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 119.113 -1.035 . . . . 0.0 110.575 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.7 tp -67.82 -40.84 83.75 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 79' ' ' ALA . 3.6 p -57.43 -35.46 49.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.401 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.422 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.53 -38.73 85.38 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.818 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.67 -41.43 75.51 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.84 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.1 mt -63.31 -39.01 93.38 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.564 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -59.38 -42.93 92.82 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 118.746 -1.181 . . . . 0.0 109.779 -179.46 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.91 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.875 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.71 -31.62 72.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.051 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.564 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -57.15 -35.7 69.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.407 -179.847 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.444 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 86.3 m-20 -56.64 -34.46 67.32 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.712 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 . . . . . 0 C--N 1.331 -0.236 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.084 -179.684 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.9 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.666 0.269 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -62.05 -35.52 78.86 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.773 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.422 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 33.8 tp -58.76 -39.31 80.6 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.806 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.44 -40.57 87.21 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 119.691 -0.803 . . . . 0.0 109.183 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -65.23 -39.21 92.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.165 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.46 93.56 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.725 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 54.3 mtm -57.85 -40.41 80.07 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 118.596 -1.242 . . . . 0.0 108.443 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.585 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.7 mt-10 -66.63 -36.25 82.12 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.204 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.8 m -60.99 -43.53 98.73 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.353 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.27 -45.76 92.18 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.527 0.68 . . . . 0.0 111.016 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.04 -41.35 84.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.086 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 86.7 m-20 -60.14 -40.56 90.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.431 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.41 HG21 ' N ' ' B' ' 15' ' ' PHE . 23.0 m -74.96 -38.0 42.42 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.574 178.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' B' ' 25' ' ' LYS . 90.3 t80 -60.24 -45.28 93.81 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.97 -44.25 91.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.49 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.09 -51.6 37.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.471 ' CG ' ' CD2' ' B' ' 36' ' ' LEU . 90.8 m-70 -65.45 -48.5 72.49 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.9 m -59.51 -35.0 73.33 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.44 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.32 -27.35 60.4 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.651 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -55.71 -39.05 70.54 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.894 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.482 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 94.6 mt-10 -139.94 142.88 36.37 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.904 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.76 -148.18 45.49 Favored Glycine 0 CA--C 1.524 0.618 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.374 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -83.57 133.19 34.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.484 -0.858 . . . . 0.0 111.26 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.585 ' O ' ' CE2' ' B' ' 15' ' ' PHE . 67.6 mttm -56.17 -38.93 71.57 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.829 0.823 . . . . 0.0 109.376 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.2 m-30 -71.51 -19.37 62.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 113.947 -1.479 . . . . 0.0 111.908 -176.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.608 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 39.1 tptt -112.25 134.08 54.0 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.402 HD21 ' N ' ' B' ' 29' ' ' SER . 0.6 OUTLIER -101.83 130.58 48.31 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -178.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.402 ' N ' HD21 ' B' ' 28' ' ' LEU . 82.7 p -100.44 160.06 14.64 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -56.45 -40.68 75.22 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.196 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.436 ' NZ ' ' OE2' ' B' ' 22' ' ' GLU . 81.2 tttt -60.79 -49.19 78.47 Favored 'General case' 0 CA--C 1.507 -0.677 0 C-N-CA 119.071 -1.052 . . . . 0.0 110.639 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.482 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 98.4 mt-10 -62.64 -38.21 89.37 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.466 -177.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 65.4 tp -62.3 -44.93 95.39 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.549 0.69 . . . . 0.0 111.287 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.592 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 4.9 tptp -60.32 -42.26 95.25 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.808 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -70.25 -38.9 75.25 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.408 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.471 ' CD2' ' CG ' ' B' ' 18' ' ' HIS . 93.7 mt -66.38 -48.13 71.15 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 119.468 -0.893 . . . . 0.0 111.999 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.8 -44.09 74.29 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.01 -1.076 . . . . 0.0 110.761 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.592 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.4 tt0 -64.43 -42.22 96.14 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.4 t -83.51 -46.59 12.28 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.417 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.484 ' N ' ' CG2' ' B' ' 39' ' ' THR . 96.5 mt-10 -73.18 -34.22 65.88 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.657 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mp -123.29 48.26 1.86 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.666 0.27 . . . . 0.0 110.619 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.507 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 19.9 m -54.5 -33.51 59.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.901 -178.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.8 -65.83 1.53 Allowed Glycine 0 CA--C 1.53 1.011 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.53 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -58.44 -43.63 88.85 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.675 ' O ' ' N ' ' B' ' 47' ' ' ALA . 8.8 mp -96.36 -1.38 47.83 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.54 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 56.2 p30 -18.9 76.67 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.95 0.881 . . . . 0.0 112.611 -177.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.675 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -65.55 -20.03 66.16 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-N 114.424 -1.262 . . . . 0.0 111.413 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -54.34 -35.93 63.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.093 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.503 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 13.4 mtpp -59.55 -35.46 74.28 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.822 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.503 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 91.7 m-20 -140.18 91.39 2.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.651 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.64 -39.53 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.05 0.453 . . . . 0.0 110.499 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -55.71 -33.28 64.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.91 -28.8 64.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.133 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.75 -44.09 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.628 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' B' ' 58' ' ' MET . 90.0 m-20 -61.76 -40.64 95.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.497 0.665 . . . . 0.0 110.275 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -60.77 -39.88 90.47 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.053 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.39 -44.84 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.028 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.537 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -63.0 -37.24 86.4 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.485 ' N ' ' HG3' ' B' ' 58' ' ' MET . 49.0 tptt -57.71 -41.45 81.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.262 -178.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.92 -37.15 85.31 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.656 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.07 -37.91 84.84 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.474 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 39.9 t0 -78.31 86.12 4.41 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.167 -1.013 . . . . 0.0 112.137 -178.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -66.68 -38.85 87.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.85 0.833 . . . . 0.0 109.274 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -59.14 -36.93 76.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.059 -1.428 . . . . 0.0 112.116 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.62 4.12 70.59 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 108.193 -1.963 . . . . 0.0 108.193 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.659 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.0 p30 -62.27 -33.03 73.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 114.337 -0.932 . . . . 0.0 112.472 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.659 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.85 -5.21 59.64 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.419 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 82.6 tt0 -117.28 145.29 44.06 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.2 t -104.76 134.51 45.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.51 0.671 . . . . 0.0 112.803 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.608 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 81.9 m-20 -99.62 152.32 20.19 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.931 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.508 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 77.9 t80 -54.83 -39.66 68.79 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.072 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -56.23 -40.66 74.46 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.875 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.64 -40.26 84.57 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.429 0.633 . . . . 0.0 110.238 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -63.68 -42.41 98.04 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.442 ' CG1' ' CE2' ' B' ' 71' ' ' PHE . 30.3 m -63.9 -36.3 76.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.433 -0.507 . . . . 0.0 112.019 -177.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.1 t -63.5 -45.28 98.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 C-N-CA 119.138 -1.025 . . . . 0.0 110.561 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.92 -40.9 83.31 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 p -57.38 -35.51 49.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.459 -177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.435 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.45 -38.76 85.19 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.475 -0.49 . . . . 0.0 109.868 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.55 -41.49 75.83 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.888 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.1 mt -63.37 -39.03 93.41 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.561 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.0 OUTLIER -59.29 -42.99 92.57 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 118.782 -1.167 . . . . 0.0 109.797 -179.539 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 93.6 t -64.01 -40.44 89.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.829 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.82 -31.52 72.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.037 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -57.13 -35.77 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.462 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.439 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 86.0 m-20 -56.49 -34.59 67.08 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.739 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 N--CA 1.454 -0.231 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.062 -179.603 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.536 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 40.8 t . . . . . 0 N--CA 1.462 0.138 0 CA-C-O 120.561 0.219 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -64.59 -38.39 90.84 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.528 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.9 -40.03 94.05 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.905 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.58 -40.63 95.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.424 ' O ' ' OG1' ' A' ' 10' ' ' THR . 37.5 m -64.84 -37.96 89.38 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.636 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.53 -49.25 72.0 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.593 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.4 mtm -59.41 -41.03 88.52 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.496 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.592 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.9 mt-10 -66.98 -37.49 84.33 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.971 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 6' ' ' THR . 45.3 m -62.06 -45.17 94.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.888 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.76 -47.47 86.16 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 119.626 -0.829 . . . . 0.0 110.74 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.408 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 86.7 mt -60.96 -42.79 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.42 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 86.9 m-20 -61.96 -39.79 93.33 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.509 -0.477 . . . . 0.0 111.857 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -69.36 -51.19 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.988 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.524 ' O ' ' OG ' ' A' ' 19' ' ' SER . 81.3 m-85 -68.46 -44.99 73.64 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.7 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.408 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 84.5 t60 -61.31 -39.7 91.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.063 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 13' ' ' ASN . . . -61.08 -42.3 98.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.732 -177.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -88.1 -26.99 22.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.524 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 19.3 m -57.96 -37.0 73.37 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.772 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.53 -30.09 67.86 Favored Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.997 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -56.65 -38.1 71.7 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.202 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.506 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.4 mm-40 -135.43 142.75 45.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.325 0.583 . . . . 0.0 111.875 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.38 -142.93 42.18 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 115.428 -0.806 . . . . 0.0 113.211 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -83.92 132.72 34.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.417 -0.891 . . . . 0.0 111.969 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -56.0 -38.16 70.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.646 0.736 . . . . 0.0 110.291 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.583 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 m-30 -70.9 -21.23 62.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.368 -1.287 . . . . 0.0 112.302 -176.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -112.3 140.05 47.34 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.3 mt -102.1 133.78 46.4 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 174.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -101.51 163.19 12.39 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.588 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 76.6 tttt -51.6 -39.77 58.58 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.227 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -62.47 -52.09 64.9 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.015 -0.674 . . . . 0.0 112.338 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.506 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.2 mt-10 -63.99 -41.12 97.61 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.03 -176.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.27 -41.86 96.72 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.584 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.612 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 2.8 tptp -61.07 -46.84 89.01 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 114.959 -1.018 . . . . 0.0 111.86 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -69.47 -38.17 77.6 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.384 -0.526 . . . . 0.0 111.981 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.7 mt -64.93 -47.13 78.79 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.059 -0.656 . . . . 0.0 112.188 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.12 -47.92 47.6 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.958 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.612 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 64.5 tt0 -62.85 -43.14 99.6 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -81.12 -44.26 18.19 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.372 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.518 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 76.5 mm-40 -71.67 -35.5 70.33 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 118.895 -1.122 . . . . 0.0 111.15 -178.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.8 mt -123.74 62.67 1.06 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.785 0.326 . . . . 0.0 110.493 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.1 p -59.61 -25.46 64.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.627 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.61 -70.44 1.33 Allowed Glycine 0 CA--C 1.528 0.889 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.571 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.437 ' CE1' ' HA ' ' A' ' 85' ' ' CYS . 81.8 t80 -57.49 -43.45 84.13 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.519 ' O ' ' C ' ' A' ' 46' ' ' ASP . 77.9 mt -92.41 -1.46 56.99 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.519 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.2 t0 -26.21 102.7 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.442 0.639 . . . . 0.0 111.199 -178.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.44 -22.38 66.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.914 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -55.26 -35.67 65.25 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.528 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.509 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 52.3 mtmt -59.19 -37.52 77.62 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.456 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.509 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.7 m-20 -142.16 100.86 3.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.935 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.4 t -62.48 -41.15 90.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 48.9 p30 -88.87 4.75 46.74 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.23 72.33 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.209 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.21 -43.54 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.793 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.588 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 88.1 m-20 -61.33 -43.13 99.39 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.831 -0.748 . . . . 0.0 110.36 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -62.42 -40.18 95.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.739 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.49 -46.77 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.306 -0.558 . . . . 0.0 112.322 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.519 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.4 ppp? -66.0 -37.48 86.04 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.622 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 58' ' ' MET . 48.8 tttm -57.77 -41.53 82.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.386 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.69 -37.17 85.73 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.943 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.97 -38.82 86.77 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.572 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 46.7 t0 -77.8 81.02 4.24 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 118.821 -1.152 . . . . 0.0 111.296 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.77 -38.64 86.99 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.241 0.543 . . . . 0.0 111.661 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -58.92 -36.49 74.83 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.181 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.11 2.11 71.69 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 107.988 -2.045 . . . . 0.0 107.988 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.663 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 53.4 p30 -62.34 -32.43 73.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 113.938 -1.131 . . . . 0.0 112.072 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.663 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 99.05 -5.83 59.59 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.409 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 84.4 tt0 -111.22 141.02 45.29 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.9 t -105.85 132.38 53.01 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-O 121.253 0.549 . . . . 0.0 110.658 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.5 t0 -104.32 147.26 27.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.511 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.567 ' CE2' ' CG2' ' A' ' 75' ' ' VAL . 87.6 t80 -52.46 -39.0 60.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.882 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -59.18 -39.61 83.09 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.322 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.16 -41.5 85.92 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.619 0.723 . . . . 0.0 109.888 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.416 ' CE2' ' CZ ' ' A' ' 15' ' ' PHE . 89.8 t80 -64.94 -40.16 94.61 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.567 ' CG2' ' CE2' ' A' ' 71' ' ' PHE . 75.9 t -58.4 -40.61 78.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.123 -0.631 . . . . 0.0 112.104 -176.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.59 -43.95 95.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 118.945 -1.102 . . . . 0.0 110.455 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.9 tp -66.07 -41.06 91.26 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 79' ' ' ALA . 2.8 p -59.04 -33.11 49.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 119.911 -0.715 . . . . 0.0 110.696 -177.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.445 ' N ' HG12 ' A' ' 78' ' ' VAL . . . -59.6 -41.7 90.9 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.144 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.1 -40.05 78.62 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.877 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.15 -39.03 93.14 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.521 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.2 t -60.13 -41.72 93.3 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.765 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.6 t -61.86 -41.22 89.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.12 82.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.521 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.521 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.6 OUTLIER -60.59 -33.56 72.91 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.401 HD21 HD11 ' B' ' 12' ' ' ILE . 19.3 t-20 -54.89 -37.18 65.98 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.101 0.477 . . . . 0.0 110.62 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 . . . . . 0 C--N 1.329 -0.314 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.845 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.518 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 40.7 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.566 0.222 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.69 -38.32 90.61 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.474 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.9 -40.07 94.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.939 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.56 -40.65 95.47 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.421 ' O ' ' OG1' ' B' ' 10' ' ' THR . 37.0 m -64.78 -38.0 89.5 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.673 177.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.21 72.23 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.633 -178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.3 mtm -59.47 -41.01 88.76 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.407 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.597 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.9 mt-10 -67.04 -37.48 84.16 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.895 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' B' ' 6' ' ' THR . 45.7 m -62.14 -45.08 95.04 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.863 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.62 -47.62 85.42 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 119.579 -0.848 . . . . 0.0 110.739 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.439 HG23 HD11 ' B' ' 12' ' ' ILE . 86.5 mt -60.86 -42.82 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.492 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.597 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 86.9 m-20 -61.88 -39.9 93.52 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.541 -0.463 . . . . 0.0 111.841 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 87.8 t -69.34 -51.19 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 120.045 -0.662 . . . . 0.0 111.997 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.529 ' O ' ' OG ' ' B' ' 19' ' ' SER . 81.3 m-85 -68.45 -44.95 73.77 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 119.611 -0.835 . . . . 0.0 111.675 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.409 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 84.4 t60 -61.22 -39.83 91.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.07 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' B' ' 13' ' ' ASN . . . -61.01 -42.28 98.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.803 -177.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.402 ' CD2' HD23 ' B' ' 36' ' ' LEU . 98.3 m-70 -88.11 -27.02 22.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.529 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 19.5 m -58.0 -37.02 73.5 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.745 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.47 -30.09 67.67 Favored Glycine 0 CA--C 1.524 0.616 0 CA-C-N 115.61 -0.723 . . . . 0.0 113.011 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -56.65 -38.12 71.73 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.236 -178.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.514 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.4 mm-40 -135.37 142.76 45.77 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.866 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.44 -142.92 42.35 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 115.457 -0.792 . . . . 0.0 113.149 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -84.01 132.68 34.72 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.365 -0.917 . . . . 0.0 111.891 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -55.92 -38.2 69.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.664 0.745 . . . . 0.0 110.311 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.594 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.2 m-30 -70.93 -21.22 62.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.32 -1.309 . . . . 0.0 112.263 -176.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -112.36 140.05 47.41 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 77.9 mt -102.06 133.77 46.36 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 174.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -101.5 163.22 12.38 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.585 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 76.7 tttt -51.6 -39.81 58.67 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 118.987 -1.085 . . . . 0.0 109.235 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -62.43 -52.11 64.86 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 119.968 -0.693 . . . . 0.0 112.371 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.2 mt-10 -63.95 -41.14 97.67 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.039 -176.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.23 -41.92 96.79 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.56 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.617 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 2.9 tptp -61.04 -46.78 89.31 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.877 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -69.5 -38.15 77.49 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.037 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.402 HD23 ' CD2' ' B' ' 18' ' ' HIS . 45.7 mt -64.9 -47.21 78.6 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.228 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.02 -48.02 47.6 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.806 -0.758 . . . . 0.0 111.947 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.617 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.5 tt0 -62.85 -43.08 99.75 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.426 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 0.7 OUTLIER -81.15 -44.11 18.37 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.379 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.536 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 76.4 mm-40 -71.78 -35.51 70.06 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 118.888 -1.125 . . . . 0.0 111.133 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -123.69 62.78 1.05 Allowed 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.718 0.295 . . . . 0.0 110.482 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -59.7 -25.42 64.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.637 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.68 -70.45 1.33 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.496 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.455 ' CE1' ' HA ' ' B' ' 85' ' ' CYS . 81.9 t80 -57.4 -43.6 83.82 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' B' ' 46' ' ' ASP . 77.8 mt -92.41 -1.32 57.09 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.529 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.2 t0 -26.26 102.69 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.431 0.634 . . . . 0.0 111.194 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.49 -22.34 66.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.885 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -55.31 -35.53 65.23 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.552 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.522 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 52.4 mtmt -59.32 -37.5 77.95 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.386 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.522 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.7 m-20 -142.18 100.84 3.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.973 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.54 -41.07 90.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.441 ' C ' ' OD1' ' B' ' 52' ' ' ASP . 49.0 p30 -88.91 4.82 46.64 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.64 -31.36 72.5 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.256 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.05 -43.67 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.806 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.585 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 87.8 m-20 -61.25 -43.15 99.35 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.415 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -62.35 -40.27 95.86 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.737 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.5 t -66.44 -46.82 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 120.347 -0.541 . . . . 0.0 112.342 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.519 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.4 ppp? -66.03 -37.44 85.88 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.632 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' B' ' 58' ' ' MET . 48.7 tttm -57.76 -41.6 82.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.362 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.69 -37.17 85.71 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.895 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.91 -38.92 87.12 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.575 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 46.7 t0 -77.72 80.96 4.17 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 118.846 -1.142 . . . . 0.0 111.281 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.73 -38.6 86.99 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.32 0.581 . . . . 0.0 111.74 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -59.02 -36.46 74.99 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.25 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.14 2.12 71.59 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.663 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.4 p30 -62.31 -32.59 73.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.026 -1.087 . . . . 0.0 112.013 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.663 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 99.18 -5.88 59.42 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.403 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 84.3 tt0 -111.22 140.99 45.32 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -105.84 132.32 53.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 CA-C-O 121.35 0.595 . . . . 0.0 110.628 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.5 t0 -104.3 147.34 27.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.476 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.561 ' CE2' ' CG2' ' B' ' 75' ' ' VAL . 87.8 t80 -52.48 -39.06 60.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.894 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -59.11 -39.58 82.73 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.309 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.2 -41.53 85.66 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.561 0.696 . . . . 0.0 109.816 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.41 ' CE2' ' CZ ' ' B' ' 15' ' ' PHE . 89.9 t80 -64.89 -40.25 94.8 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.561 ' CG2' ' CE2' ' B' ' 71' ' ' PHE . 75.8 t -58.37 -40.65 78.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.239 -0.584 . . . . 0.0 112.062 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.57 -43.95 95.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 118.933 -1.107 . . . . 0.0 110.516 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 26.9 tp -66.16 -40.95 90.93 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.438 HG12 ' N ' ' B' ' 79' ' ' ALA . 2.8 p -59.11 -33.1 49.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.695 -177.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.438 ' N ' HG12 ' B' ' 78' ' ' VAL . . . -59.62 -41.76 91.15 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.11 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.07 78.82 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 119.781 -0.768 . . . . 0.0 110.899 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.21 -38.99 93.03 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.51 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.2 t -60.12 -41.64 93.08 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.8 -179.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 91.5 t -61.9 -41.27 90.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.02 82.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.518 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.6 OUTLIER -60.65 -33.51 72.91 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.054 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.402 HD21 HD11 ' A' ' 12' ' ' ILE . 19.3 t-20 -54.87 -37.23 65.99 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.159 0.504 . . . . 0.0 110.639 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.89 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.743 0.306 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.33 -35.39 78.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.99 -40.1 88.01 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.031 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.5 -40.18 90.41 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 119.441 -0.904 . . . . 0.0 108.598 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.2 m -64.8 -37.99 89.47 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.543 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.95 98.87 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.684 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.6 mtm -57.22 -40.51 77.68 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 118.013 -1.475 . . . . 0.0 108.199 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.515 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 98.0 mt-10 -67.04 -35.96 81.03 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.922 -1.036 . . . . 0.0 110.957 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.9 m -62.16 -44.04 97.49 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.964 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.9 -45.36 94.91 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.812 0.815 . . . . 0.0 111.113 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -68.26 -40.67 82.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.822 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 2.3 m120 -60.16 -41.39 92.71 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.054 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.5 m -74.16 -35.29 40.46 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.105 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.442 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.501 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 66.3 t80 -59.58 -48.36 81.98 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.316 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -61.42 -43.84 98.16 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.98 97.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.496 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 96.8 m-70 -90.53 -32.01 16.5 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.521 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 96.4 p -62.89 -31.29 72.31 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.932 -0.707 . . . . 0.0 111.621 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.16 -28.68 67.03 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 115.879 -0.6 . . . . 0.0 113.894 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.496 ' NZ ' ' O ' ' A' ' 18' ' ' HIS . 32.3 mtmm -57.02 -40.88 77.53 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -176.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.589 ' N ' ' OE2' ' A' ' 32' ' ' GLU . 94.5 mt-10 -141.71 150.65 42.11 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 119.894 -0.722 . . . . 0.0 112.67 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.38 -153.0 51.2 Favored Glycine 0 C--N 1.329 0.153 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -71.92 137.65 47.53 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.521 ' O ' ' OG ' ' A' ' 19' ' ' SER . 20.8 mtpp -59.79 -39.4 84.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.862 0.839 . . . . 0.0 110.067 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 m-30 -71.34 -30.14 65.83 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.158 -1.383 . . . . 0.0 113.407 -175.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -120.73 154.19 35.96 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.206 0.527 . . . . 0.0 111.894 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.61 144.56 25.64 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.1 t -98.14 158.01 15.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.018 -1.446 . . . . 0.0 107.428 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -52.95 -42.01 65.06 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.208 -0.997 . . . . 0.0 110.67 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -61.02 -48.57 81.18 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.505 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.589 ' OE2' ' N ' ' A' ' 22' ' ' GLU . 97.2 mt-10 -62.37 -39.85 94.53 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.183 -176.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.83 -41.43 99.32 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.503 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.596 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 2.7 tptp -60.85 -45.53 94.16 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.724 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.97 -38.25 85.72 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 120.02 -0.672 . . . . 0.0 112.081 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.5 mt -66.83 -45.92 76.77 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.68 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.7 mt -68.44 -41.98 79.52 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 118.902 -1.119 . . . . 0.0 110.494 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.596 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.2 tt0 -63.4 -42.24 98.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.995 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 3.0 t -84.98 -45.57 12.05 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.164 -0.614 . . . . 0.0 112.386 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.49 ' N ' ' CG2' ' A' ' 39' ' ' THR . 97.0 mt-10 -71.96 -35.6 69.6 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.015 -178.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.6 mt -122.0 46.48 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.85 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -57.52 -25.41 59.81 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.86 -68.15 1.34 Allowed Glycine 0 CA--C 1.531 1.083 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.757 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -57.86 -43.78 86.18 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.524 ' O ' ' C ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -91.34 -2.49 57.34 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.524 ' C ' ' O ' ' A' ' 45' ' ' LEU . 59.9 t0 -25.01 112.37 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.542 0.687 . . . . 0.0 111.25 -177.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -27.31 69.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.02 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -56.3 -36.8 69.06 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.345 -178.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -60.85 -40.12 91.69 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.484 ' CG ' ' H ' ' A' ' 53' ' ' ALA . 66.0 t0 -156.86 95.06 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.104 -1.407 . . . . 0.0 111.455 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.91 -40.48 85.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -60.77 -28.35 68.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.561 -1.2 . . . . 0.0 112.465 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.484 ' H ' ' CG ' ' A' ' 50' ' ' ASP . . . -52.46 -32.01 37.62 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.582 -0.447 . . . . 0.0 112.129 -176.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.38 -46.69 85.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.336 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.71 -40.89 96.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.315 0.579 . . . . 0.0 110.867 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -59.59 -41.34 90.05 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.321 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.2 m -76.52 -37.76 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 119.568 -0.853 . . . . 0.0 111.826 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.524 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.7 ppp? -62.81 -38.82 92.2 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.616 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 58' ' ' MET . 47.3 mtpt -59.68 -38.79 82.5 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.956 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.9 -38.1 89.83 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.433 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.498 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 92.1 mt -67.26 -36.92 82.61 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.03 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -92.91 35.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.448 -0.797 . . . . 0.0 112.887 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -51.03 -31.04 17.1 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 121.474 0.654 . . . . 0.0 109.272 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.556 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 10.7 m120 -52.71 -31.3 36.95 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.859 -178.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.96 4.33 56.74 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 108.152 -1.979 . . . . 0.0 108.152 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.586 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 54.1 p30 -90.13 126.58 35.85 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 122.245 1.022 . . . . 0.0 110.388 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -53.82 -25.3 29.43 Favored Glycine 0 C--N 1.306 -1.127 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.527 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -94.75 145.06 25.13 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.605 0.717 . . . . 0.0 110.781 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.3 t -102.54 131.75 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.201 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -83.89 142.61 30.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.418 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.617 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 40.0 t80 -56.05 -41.24 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.358 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -57.76 -41.11 81.28 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.712 -0.795 . . . . 0.0 109.805 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.556 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 98.5 mt-10 -66.75 -40.05 88.14 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.092 0.472 . . . . 0.0 110.7 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -65.51 -45.6 82.92 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.617 ' CG2' ' CE1' ' A' ' 71' ' ' PHE . 58.3 t -63.56 -42.45 96.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.095 -178.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.11 -44.49 98.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.617 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.0 tp -63.56 -39.46 94.45 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.767 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.87 -39.07 78.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.994 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.84 -40.38 79.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.512 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.66 -41.49 79.22 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.404 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.59 -40.49 95.63 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.564 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.4 t -64.27 -40.34 95.78 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 118.862 -1.135 . . . . 0.0 109.73 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.0 t -62.2 -41.89 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.44 -31.44 72.66 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.268 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.564 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -53.95 -34.85 60.87 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.166 -179.659 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.42 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 49.8 t-20 -56.17 -37.4 69.5 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.18 0.514 . . . . 0.0 110.467 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.513 -179.396 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.747 0.308 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.4 -35.33 78.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.868 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 tt -60.0 -40.11 88.09 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.022 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.43 -40.22 90.29 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.3 m -64.85 -37.98 89.44 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.545 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.94 98.8 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.677 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.7 mtm -57.27 -40.5 77.85 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 118.038 -1.465 . . . . 0.0 108.158 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.509 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 98.1 mt-10 -67.03 -36.05 81.25 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.946 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 46.1 m -62.06 -44.08 97.45 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.987 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.86 -45.44 94.53 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.802 0.81 . . . . 0.0 111.065 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -68.21 -40.59 82.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.882 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 2.3 m120 -60.26 -41.33 93.04 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.977 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.406 HG21 ' N ' ' B' ' 15' ' ' PHE . 25.7 m -74.18 -35.33 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.429 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.497 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 66.4 t80 -59.49 -48.41 81.74 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.331 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -61.39 -43.84 98.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.21 -40.94 97.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -177.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.491 ' O ' ' NZ ' ' B' ' 21' ' ' LYS . 96.9 m-70 -90.6 -31.96 16.46 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 96.0 p -62.88 -31.33 72.35 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.636 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.2 -28.66 67.09 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 115.755 -0.657 . . . . 0.0 113.909 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.491 ' NZ ' ' O ' ' B' ' 18' ' ' HIS . 32.3 mtmm -56.98 -40.8 77.23 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -176.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.578 ' N ' ' OE2' ' B' ' 32' ' ' GLU . 94.5 mt-10 -141.77 150.59 41.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.621 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.43 -153.04 51.23 Favored Glycine 0 C--N 1.33 0.216 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -71.92 137.69 47.57 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.502 ' O ' ' OG ' ' B' ' 19' ' ' SER . 20.8 mtpp -59.84 -39.36 84.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.816 0.817 . . . . 0.0 110.074 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.594 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.2 m-30 -71.38 -30.13 65.76 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.191 -1.368 . . . . 0.0 113.349 -175.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -120.74 154.13 36.06 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.944 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.5 144.54 25.69 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.0 t -98.22 157.99 15.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.088 -1.414 . . . . 0.0 107.428 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -52.94 -41.98 64.99 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.629 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -61.07 -48.59 80.99 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 119.355 -0.938 . . . . 0.0 111.433 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.578 ' OE2' ' N ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -62.4 -39.89 94.71 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.137 -176.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.81 -41.41 99.28 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.48 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.591 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 2.7 tptp -60.95 -45.45 94.69 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.689 177.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.04 -38.21 85.46 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 119.994 -0.682 . . . . 0.0 112.068 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 78.9 mt -66.78 -45.91 76.97 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.726 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 60.8 mt -68.49 -42.03 79.22 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 118.868 -1.133 . . . . 0.0 110.42 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.591 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.2 tt0 -63.39 -42.18 98.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.18 -0.918 . . . . 0.0 113.012 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 3.0 t -85.05 -45.54 12.01 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.128 -0.629 . . . . 0.0 112.394 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' B' ' 39' ' ' THR . 96.9 mt-10 -72.0 -35.55 69.48 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.024 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 64.5 mt -121.95 46.49 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.869 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -57.61 -25.34 59.95 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.87 -68.1 1.34 Allowed Glycine 0 CA--C 1.531 1.038 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.767 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -57.93 -43.77 86.51 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -91.15 -2.53 57.53 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.089 0.404 . . . . 0.0 112.089 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.528 ' C ' ' O ' ' B' ' 45' ' ' LEU . 59.9 t0 -25.05 112.49 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.523 0.677 . . . . 0.0 111.192 -177.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.91 -27.33 69.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.013 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -56.22 -36.87 68.95 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.29 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -60.76 -40.22 91.71 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.498 ' CG ' ' H ' ' B' ' 53' ' ' ALA . 65.8 t0 -156.81 95.0 1.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.49 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.89 -40.47 85.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -60.81 -28.3 68.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.568 -1.196 . . . . 0.0 112.455 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.498 ' H ' ' CG ' ' B' ' 50' ' ' ASP . . . -52.4 -32.09 37.22 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.566 -0.453 . . . . 0.0 112.168 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -57.34 -46.79 85.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 119.701 -0.8 . . . . 0.0 110.294 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -64.6 -40.91 96.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.249 0.547 . . . . 0.0 110.867 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -59.54 -41.35 89.87 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.364 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 27.3 m -76.58 -37.74 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 119.55 -0.86 . . . . 0.0 111.784 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.518 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.7 ppp? -62.84 -38.86 92.43 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.588 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.431 ' N ' ' HG3' ' B' ' 58' ' ' MET . 47.4 mtpt -59.58 -38.86 82.31 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 119.507 -0.877 . . . . 0.0 110.941 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.86 -38.2 90.17 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.286 -0.565 . . . . 0.0 110.388 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.512 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 92.0 mt -67.12 -37.09 83.27 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.041 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -92.82 34.95 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.003 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -51.01 -31.0 16.77 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 121.52 0.676 . . . . 0.0 109.373 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.56 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 10.7 m120 -52.76 -31.24 37.15 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.834 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.95 4.27 56.77 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 108.163 -1.975 . . . . 0.0 108.163 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.59 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 54.1 p30 -90.03 126.55 35.8 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 122.178 0.99 . . . . 0.0 110.479 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -53.78 -25.36 29.34 Favored Glycine 0 C--N 1.305 -1.177 0 CA-C-N 114.359 -1.291 . . . . 0.0 110.59 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -94.67 145.05 25.11 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.669 0.747 . . . . 0.0 110.799 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.53 131.7 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.187 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -83.78 142.62 30.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.481 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.617 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 40.2 t80 -56.03 -41.36 74.85 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.372 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -57.54 -41.24 80.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.902 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.56 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 98.5 mt-10 -66.67 -40.02 88.43 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.116 0.484 . . . . 0.0 110.738 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -65.55 -45.71 82.32 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.617 ' CG2' ' CE1' ' B' ' 71' ' ' PHE . 58.8 t -63.43 -42.51 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.03 -44.49 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.63 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 tp -63.66 -39.49 94.46 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.654 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.9 -39.03 78.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.05 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.81 -40.38 79.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.568 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.64 -41.51 79.33 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.346 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.6 mt -64.67 -40.56 95.63 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.553 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.5 t -64.05 -40.45 96.32 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 118.872 -1.131 . . . . 0.0 109.791 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 69.9 t -62.29 -41.83 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.54 -31.32 72.48 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.242 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.553 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -54.1 -34.83 61.22 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.073 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.428 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 49.7 t-20 -56.16 -37.36 69.44 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.124 0.488 . . . . 0.0 110.435 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.514 -179.383 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 m . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.842 0.353 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.64 -34.96 76.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.294 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.418 ' CD1' ' CD2' ' B' ' 11' ' ' LEU . 39.1 tp -59.08 -40.0 83.88 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.519 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.65 -40.72 88.63 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.342 -0.943 . . . . 0.0 108.667 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.1 m -65.83 -37.49 86.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.922 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.64 84.75 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.921 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.9 mtm -58.43 -41.03 84.14 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 118.867 -1.133 . . . . 0.0 109.122 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.495 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 98.3 mt-10 -67.78 -35.7 79.14 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.878 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 45.7 m -61.92 -43.81 98.07 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.088 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.413 ' CD2' ' CD1' ' B' ' 4' ' ' LEU . 80.5 mt -61.51 -46.6 89.28 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.711 0.767 . . . . 0.0 111.03 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.422 HD13 HD22 ' B' ' 86' ' ' ASN . 74.3 mt -65.57 -42.53 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.75 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 2.2 m120 -59.05 -38.49 79.5 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.538 ' CG1' ' OE2' ' A' ' 40' ' ' GLU . 88.9 t -64.73 -43.01 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.152 178.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 89.6 t80 -59.28 -50.12 75.2 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.845 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -59.97 -38.62 83.04 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.401 -0.519 . . . . 0.0 111.717 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.76 -39.9 95.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.694 ' HD1' ' HZ1' ' A' ' 21' ' ' LYS . 96.7 m-70 -101.43 -48.37 4.37 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -178.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.538 ' OG ' ' CE1' ' A' ' 15' ' ' PHE . 24.7 m -58.07 -34.93 70.66 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.543 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.67 -30.24 62.27 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.655 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.694 ' HZ1' ' HD1' ' A' ' 18' ' ' HIS . 25.9 mtmt -57.71 -38.61 75.54 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -127.5 150.38 49.7 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.42 0.629 . . . . 0.0 112.217 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.47 -159.21 11.85 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -72.7 141.57 48.22 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.895 0.378 . . . . 0.0 110.336 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.01 -39.81 87.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.771 0.796 . . . . 0.0 110.176 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.1 m-30 -74.06 -19.07 60.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.431 -175.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HZ2' ' HB3' ' A' ' 68' ' ' GLU . 20.8 tptm -112.99 140.26 47.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.315 -178.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.516 ' O ' ' O ' ' A' ' 69' ' ' VAL . 4.9 tt -97.46 130.68 44.54 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -178.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.438 ' N ' HD21 ' A' ' 28' ' ' LEU . 35.8 t -101.76 151.38 22.12 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.983 0.42 . . . . 0.0 111.26 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 69.1 tttt -53.5 -40.46 65.41 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.866 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.02 -48.29 82.12 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 119.153 -1.019 . . . . 0.0 110.167 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.557 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.8 mt-10 -61.79 -37.19 83.44 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.454 -177.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.24 -45.16 94.56 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.0 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.582 ' NZ ' ' NE2' ' A' ' 38' ' ' GLN . 19.5 tptt -60.11 -41.55 92.82 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.311 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -69.35 -38.96 78.36 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 114.537 -1.21 . . . . 0.0 112.314 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.75 -50.08 63.91 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 119.316 -0.954 . . . . 0.0 112.226 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.17 -42.87 79.34 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.439 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.582 ' NE2' ' NZ ' ' A' ' 34' ' ' LYS . 51.3 tt0 -64.17 -43.05 96.32 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -178.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.488 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.6 t -84.15 -46.58 11.77 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.505 -0.878 . . . . 0.0 112.238 -178.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.538 ' OE2' ' CG1' ' A' ' 14' ' ' VAL . 95.7 mt-10 -73.7 -34.09 64.68 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.841 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mp -122.65 51.85 1.37 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.72 0.295 . . . . 0.0 110.819 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.8 p -58.28 -25.47 61.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.849 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.48 -69.32 1.27 Allowed Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.734 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.98 -43.43 86.54 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.671 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -92.16 -2.98 56.25 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.529 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 56.1 p30 -20.77 76.56 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.722 0.773 . . . . 0.0 112.626 -177.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -63.34 -27.21 69.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.185 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -52.48 -37.18 56.59 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.427 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.521 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 71.5 mmtt -58.97 -38.03 78.15 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.521 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.9 m-20 -142.87 89.49 2.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.67 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.29 -39.57 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.047 0.451 . . . . 0.0 110.422 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -56.06 -33.46 65.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.998 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.04 -29.45 65.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.014 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.91 -44.56 82.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.198 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -61.3 -41.22 96.62 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.035 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.97 -39.05 84.33 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.821 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.88 -44.5 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.23 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.528 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 ppp? -65.28 -38.45 90.31 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.891 -0.724 . . . . 0.0 111.765 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 58' ' ' MET . 98.4 mttt -59.35 -38.02 79.33 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.719 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.89 -38.46 91.16 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.837 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 70.4 mt -68.05 -35.65 78.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.335 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.538 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 96.7 m-20 -97.5 34.95 1.72 Allowed 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.272 -0.876 . . . . 0.0 113.104 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -49.76 -30.37 9.38 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.326 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.547 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 11.4 m120 -53.13 -34.39 56.56 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.538 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.41 3.89 62.8 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.697 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.7 p30 -61.44 -36.09 79.4 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 114.814 -0.693 . . . . 0.0 112.171 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.697 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 91.96 -6.7 79.24 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.538 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 39.9 tp10 -118.64 149.0 42.13 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.516 ' O ' ' O ' ' A' ' 28' ' ' LEU . 48.4 t -101.12 129.54 51.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.807 0.813 . . . . 0.0 111.992 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -95.32 129.96 42.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.298 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.569 ' CE2' ' CG2' ' A' ' 75' ' ' VAL . 90.6 t80 -52.05 -40.88 61.77 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.358 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -56.57 -41.3 76.68 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.667 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.547 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.6 mt-10 -66.84 -38.71 86.93 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 120.999 0.428 . . . . 0.0 110.592 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.505 ' CZ ' ' CG2' ' A' ' 78' ' ' VAL . 92.2 t80 -63.08 -42.05 99.55 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.569 ' CG2' ' CE2' ' A' ' 71' ' ' PHE . 73.6 t -59.46 -42.35 87.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.315 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.23 -43.1 97.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.294 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.449 ' O ' ' CD1' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -64.28 -40.1 95.28 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 120.932 0.396 . . . . 0.0 110.408 -179.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.505 ' CG2' ' CZ ' ' A' ' 74' ' ' TYR . 54.6 t -61.21 -39.36 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 120.357 -0.537 . . . . 0.0 112.176 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.22 -38.92 81.14 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.12 -43.69 73.9 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.776 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -67.93 -38.93 83.48 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t -58.93 -43.07 91.11 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 119.12 -1.032 . . . . 0.0 109.951 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.96 -41.15 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.13 0.49 . . . . 0.0 109.935 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.9 -31.54 72.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.456 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 70.9 m -54.72 -35.78 64.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.824 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.432 HD22 HD13 ' B' ' 12' ' ' ILE . 25.0 m120 -56.39 -34.17 66.45 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.771 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 C--O 1.224 -0.247 0 CA-C-O 121.603 0.716 . . . . 0.0 109.224 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.0 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.848 0.356 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.73 -34.89 76.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.252 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.422 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 39.1 tp -59.24 -39.9 84.23 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.464 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.65 -40.77 88.8 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 119.459 -0.896 . . . . 0.0 108.648 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.2 m -65.81 -37.56 86.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.938 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.56 -46.75 84.49 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.909 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.0 mtm -58.34 -40.98 83.61 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 118.838 -1.145 . . . . 0.0 109.136 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.487 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 98.4 mt-10 -67.84 -35.75 79.14 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.872 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.415 ' O ' ' CG2' ' B' ' 14' ' ' VAL . 45.3 m -61.93 -43.77 98.16 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.082 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.418 ' CD2' ' CD1' ' A' ' 4' ' ' LEU . 80.4 mt -61.55 -46.55 89.43 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 121.701 0.762 . . . . 0.0 111.089 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.432 HD13 HD22 ' A' ' 86' ' ' ASN . 74.3 mt -65.59 -42.41 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.851 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 2.2 m120 -59.18 -38.49 79.92 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.544 ' CG1' ' OE2' ' B' ' 40' ' ' GLU . 88.3 t -64.65 -43.07 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.2 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.554 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 89.6 t80 -59.22 -50.13 75.2 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.862 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -59.94 -38.55 82.76 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.793 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.93 95.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.683 ' HD1' ' HZ1' ' B' ' 21' ' ' LYS . 96.7 m-70 -101.36 -48.34 4.4 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -177.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.536 ' OG ' ' CE1' ' B' ' 15' ' ' PHE . 24.9 m -58.17 -34.9 70.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.512 -177.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.71 -30.2 62.34 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.699 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.683 ' HZ1' ' HD1' ' B' ' 18' ' ' HIS . 25.8 mtmt -57.72 -38.58 75.54 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.554 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.9 mm-40 -127.56 150.42 49.71 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.408 0.623 . . . . 0.0 112.271 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.43 -159.11 11.81 Favored Glycine 0 CA--C 1.519 0.341 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.75 141.55 48.14 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.91 0.386 . . . . 0.0 110.317 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.14 -39.71 87.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.742 0.782 . . . . 0.0 110.17 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.567 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.1 m-30 -74.05 -19.02 60.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.025 -1.443 . . . . 0.0 112.488 -176.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.415 ' HZ2' ' HB3' ' B' ' 68' ' ' GLU . 20.8 tptm -112.99 140.23 47.98 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.343 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.521 ' O ' ' O ' ' B' ' 69' ' ' VAL . 4.9 tt -97.57 130.59 44.6 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.441 ' N ' HD21 ' B' ' 28' ' ' LEU . 35.9 t -101.65 151.45 22.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.879 0.371 . . . . 0.0 111.308 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -53.61 -40.37 65.67 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.898 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.06 -48.31 82.07 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.127 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.554 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.8 mt-10 -61.89 -37.14 83.49 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.403 -177.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.12 -45.23 94.41 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.087 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.589 ' NZ ' ' NE2' ' B' ' 38' ' ' GLN . 19.5 tptt -60.0 -41.66 92.59 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.339 178.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -69.21 -39.06 78.82 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 114.495 -1.23 . . . . 0.0 112.397 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.72 -50.13 63.79 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.33 -0.948 . . . . 0.0 112.207 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.21 -42.83 79.26 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.257 -0.977 . . . . 0.0 111.36 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.589 ' NE2' ' NZ ' ' B' ' 34' ' ' LYS . 51.4 tt0 -64.31 -42.94 96.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.6 t -84.15 -46.55 11.8 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.597 -0.841 . . . . 0.0 112.263 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.544 ' OE2' ' CG1' ' B' ' 14' ' ' VAL . 95.8 mt-10 -73.7 -34.13 64.7 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.848 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mp -122.65 51.8 1.38 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.694 0.283 . . . . 0.0 110.816 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -58.21 -25.56 61.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.847 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.39 -69.45 1.27 Allowed Glycine 0 CA--C 1.531 1.068 0 N-CA-C 111.639 -0.584 . . . . 0.0 111.639 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.94 -43.37 86.32 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.689 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.4 OUTLIER -92.15 -3.1 56.1 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.537 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 56.0 p30 -20.61 76.5 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.697 0.76 . . . . 0.0 112.6 -177.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.689 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -63.32 -27.23 69.18 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.181 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -52.45 -37.26 56.52 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.412 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.516 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 71.5 mmtt -58.81 -38.15 77.97 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.516 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.7 m-20 -142.84 89.54 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.674 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.27 -39.6 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.008 0.433 . . . . 0.0 110.448 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -56.13 -33.39 65.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.036 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.96 -29.59 65.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.036 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.75 -44.65 82.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.226 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.33 -41.16 96.58 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.024 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.98 -39.06 84.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.908 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.5 t -66.88 -44.58 88.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.107 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.541 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -65.25 -38.51 90.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.706 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' B' ' 58' ' ' MET . 98.4 mttt -59.3 -38.03 79.21 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 119.766 -0.774 . . . . 0.0 111.718 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.8 -38.51 91.36 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.882 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.482 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 70.3 mt -67.95 -35.73 78.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.448 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.54 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 96.7 m-20 -97.51 35.04 1.71 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.182 -0.917 . . . . 0.0 113.06 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -49.75 -30.43 9.47 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.312 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.55 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 11.5 m120 -53.09 -34.44 56.62 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.519 -178.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.37 4.03 62.79 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 108.705 -1.758 . . . . 0.0 108.705 -177.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.692 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.9 p30 -61.49 -36.02 79.31 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 114.782 -0.709 . . . . 0.0 112.185 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.692 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 92.0 -6.77 79.15 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.54 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 39.9 tp10 -118.66 148.89 42.26 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.521 ' O ' ' O ' ' B' ' 28' ' ' LEU . 48.1 t -101.01 129.55 51.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.828 0.823 . . . . 0.0 112.017 -178.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -95.36 130.02 42.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.33 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.573 ' CE2' ' CG2' ' B' ' 75' ' ' VAL . 90.7 t80 -52.13 -40.81 61.89 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.019 -0.672 . . . . 0.0 111.388 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -56.51 -41.28 76.45 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.463 -0.895 . . . . 0.0 109.666 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.55 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.7 mt-10 -66.91 -38.72 86.75 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 178.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.508 ' CZ ' ' CG2' ' B' ' 78' ' ' VAL . 92.3 t80 -63.09 -42.07 99.53 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.573 ' CG2' ' CE2' ' B' ' 71' ' ' PHE . 73.5 t -59.51 -42.23 87.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.304 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 73.6 t -64.22 -43.15 97.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.381 -0.527 . . . . 0.0 111.302 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.445 ' O ' ' CD1' ' B' ' 77' ' ' LEU . 0.2 OUTLIER -64.27 -40.1 95.28 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.983 0.421 . . . . 0.0 110.394 -178.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.508 ' CG2' ' CZ ' ' B' ' 74' ' ' TYR . 54.8 t -61.19 -39.41 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.195 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.16 -38.89 80.81 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.744 -0.383 . . . . 0.0 112.027 -177.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.07 -43.72 74.02 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.829 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 0.6 OUTLIER -67.92 -38.93 83.49 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -178.873 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t -58.95 -43.1 91.22 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 119.206 -0.998 . . . . 0.0 109.877 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.99 -41.14 91.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.166 0.507 . . . . 0.0 109.928 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -31.64 72.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.358 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 70.9 m -54.64 -35.82 63.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.864 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.422 HD22 HD13 ' A' ' 12' ' ' ILE . 24.9 m120 -56.37 -34.17 66.4 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.743 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 57.9 t30 . . . . . 0 C--O 1.226 -0.169 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.881 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 p . . . . . 0 CA--C 1.504 -0.818 0 CA-C-O 121.957 0.884 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -58.57 -32.35 68.84 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 113.804 -1.544 . . . . 0.0 111.268 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.7 tp -57.29 -41.72 80.35 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.437 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.503 ' OE2' ' O ' ' B' ' 40' ' ' GLU . 97.4 mt-10 -63.93 -39.27 93.77 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 119.626 -0.829 . . . . 0.0 109.598 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' OG1' ' A' ' 10' ' ' THR . 46.9 m -64.74 -39.52 93.78 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.305 178.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.28 -48.16 71.31 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.811 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.1 mtm -57.68 -42.45 83.66 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 118.32 -1.352 . . . . 0.0 108.985 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.5 -38.42 87.19 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.131 -177.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 6' ' ' THR . 47.5 m -61.58 -43.0 99.66 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.167 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.8 -46.15 88.26 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 119.697 -0.801 . . . . 0.0 110.165 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.448 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 77.3 mt -64.01 -40.69 89.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.389 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -60.25 -40.34 89.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.243 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.584 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 33.9 m -78.96 -47.3 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 119.414 -0.914 . . . . 0.0 112.659 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.426 ' CZ ' ' CE2' ' A' ' 74' ' ' TYR . 65.1 m-85 -65.59 -38.71 90.27 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 119.438 -0.905 . . . . 0.0 111.153 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.448 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 85.4 t60 -59.88 -44.94 93.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.626 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.67 -51.7 39.1 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.584 ' ND1' ' O ' ' A' ' 14' ' ' VAL . 53.1 m80 -61.52 -43.31 99.09 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.0 m -58.41 -35.26 71.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 111.568 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.11 -28.55 58.63 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.539 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -56.5 -40.27 74.69 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.358 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.514 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.1 mt-10 -143.83 138.55 28.75 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.891 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.91 -166.14 54.73 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -72.14 145.94 47.77 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.948 0.404 . . . . 0.0 110.072 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -59.3 -35.55 73.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.737 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.574 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -88.17 -4.55 58.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.133 -177.437 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.56 ' NZ ' ' CD ' ' A' ' 68' ' ' GLU . 19.9 tptm -114.61 131.25 56.76 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.374 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.512 ' O ' ' O ' ' A' ' 69' ' ' VAL . 25.4 mt -99.3 135.13 41.16 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.519 0.676 . . . . 0.0 111.637 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.9 p -101.85 160.91 14.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.464 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.39 -39.24 69.9 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.446 -0.901 . . . . 0.0 110.255 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -62.37 -53.2 58.4 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.754 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.0 mt-10 -63.82 -41.03 97.95 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.713 -176.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.4 tp -63.86 -45.84 87.66 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.829 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.706 ' HZ1' ' NE2' ' A' ' 38' ' ' GLN . 17.7 tptp -60.78 -42.16 96.98 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 121.845 0.831 . . . . 0.0 110.97 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -70.06 -38.16 75.7 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 114.672 -1.149 . . . . 0.0 112.289 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.462 ' CD2' ' CG ' ' A' ' 18' ' ' HIS . 65.2 mt -68.19 -45.94 72.04 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.656 -0.818 . . . . 0.0 112.204 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 71.7 mt -69.62 -44.98 69.56 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.492 -0.883 . . . . 0.0 110.639 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.706 ' NE2' ' HZ1' ' A' ' 34' ' ' LYS . 51.8 tt0 -64.69 -41.9 95.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.903 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.3 t -81.84 -47.17 13.15 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.936 -0.706 . . . . 0.0 112.402 -178.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.514 ' O ' ' OE2' ' B' ' 5' ' ' GLU . 75.9 mm-40 -72.91 -34.68 66.79 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 119.603 -0.839 . . . . 0.0 111.297 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -123.98 58.06 1.19 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.752 0.311 . . . . 0.0 110.529 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.8 m -55.16 -32.77 62.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.639 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.4 -68.36 1.4 Allowed Glycine 0 CA--C 1.53 1.01 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.272 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -58.28 -43.44 87.98 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 47' ' ' ALA . 1.5 mm? -91.35 -3.63 56.57 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.4 t0 -22.58 75.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.672 0.607 . . . . 0.0 112.435 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.697 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -68.79 -20.42 64.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.061 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -55.43 -35.16 65.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.686 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.506 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 52.2 mtmt -58.49 -35.66 72.56 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.056 -0.658 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.5 m-20 -140.01 94.12 2.72 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.1 t -59.49 -44.65 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.188 0.518 . . . . 0.0 111.402 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.25 -33.73 71.38 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.49 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.23 -28.65 65.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.944 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.58 -44.8 81.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.205 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.26 -40.96 97.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.374 0.607 . . . . 0.0 110.245 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -59.46 -39.49 83.84 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.618 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.4 t -67.59 -45.24 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.96 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.564 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.1 ppp? -62.68 -37.69 87.44 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.838 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -57.0 -38.3 72.88 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 118.368 -1.333 . . . . 0.0 108.978 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -65.99 -36.38 83.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.044 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.4 mt -66.48 -37.74 85.76 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.24 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.501 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 38.6 t0 -84.49 100.06 11.11 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.173 -1.011 . . . . 0.0 112.657 -178.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -69.58 -39.69 77.17 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.504 0.668 . . . . 0.0 110.776 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.488 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 22.9 m120 -59.78 -36.73 77.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.634 -1.166 . . . . 0.0 112.321 -177.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.0 3.99 69.61 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.642 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.7 p30 -62.35 -31.45 72.08 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 114.312 -0.944 . . . . 0.0 112.172 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.642 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 100.45 -4.74 56.9 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.56 ' CD ' ' NZ ' ' A' ' 27' ' ' LYS . 80.6 tt0 -116.84 143.35 45.79 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.512 ' O ' ' O ' ' A' ' 28' ' ' LEU . 53.2 t -106.33 134.58 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.5 0.667 . . . . 0.0 112.339 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.2 t0 -105.82 151.95 23.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.408 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 81.4 t80 -53.17 -41.46 65.23 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.048 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.14 -41.55 83.93 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.225 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.488 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 97.8 mt-10 -68.48 -40.24 81.05 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.473 0.654 . . . . 0.0 110.984 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.426 ' CE2' ' CZ ' ' A' ' 15' ' ' PHE . 90.4 t80 -62.74 -40.56 97.6 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.5 m -64.3 -32.77 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -177.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.95 -50.46 77.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 118.746 -1.182 . . . . 0.0 111.883 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.9 mt -76.11 -35.66 59.21 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 p -55.49 -34.83 35.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 119.325 -0.95 . . . . 0.0 110.333 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.432 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.08 -37.89 81.25 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.57 -40.55 76.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.509 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.87 -39.48 94.57 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.543 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.556 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -61.35 -41.62 97.35 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 119.26 -0.976 . . . . 0.0 109.686 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.2 t -62.37 -41.59 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.27 -30.31 71.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.059 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -54.89 -36.04 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.177 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.45 ' ND2' ' SG ' ' A' ' 85' ' ' CYS . 2.9 m120 -57.13 -34.65 68.61 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.457 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.762 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.8 p . . . . . 0 CA--C 1.504 -0.805 0 CA-C-O 122.056 0.931 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -58.55 -32.39 68.86 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.269 -177.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 42.7 tp -57.31 -41.68 80.36 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.49 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' A' ' 40' ' ' GLU . 97.4 mt-10 -63.98 -39.19 93.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.667 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.484 ' O ' ' OG1' ' B' ' 10' ' ' THR . 45.9 m -64.75 -39.56 93.83 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.394 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.3 71.2 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.743 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 47.2 mtm -57.63 -42.49 83.48 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 118.328 -1.349 . . . . 0.0 108.996 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.44 -38.46 87.46 Favored 'General case' 0 N--CA 1.436 -1.125 0 CA-C-N 113.792 -1.549 . . . . 0.0 110.186 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' B' ' 6' ' ' THR . 45.9 m -61.51 -42.98 99.62 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.212 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.0 mt -58.87 -46.15 88.47 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.107 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' B' ' 16' ' ' HIS . 77.2 mt -64.05 -40.6 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.471 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -60.35 -40.33 90.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.192 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.59 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 33.8 m -78.99 -47.2 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.653 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.416 ' CZ ' ' CE2' ' B' ' 74' ' ' TYR . 65.3 m-85 -65.67 -38.74 90.14 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 119.506 -0.878 . . . . 0.0 111.087 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.446 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 85.3 t60 -59.99 -44.72 94.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.568 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.85 -51.62 38.56 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.59 ' ND1' ' O ' ' B' ' 14' ' ' VAL . 53.0 m80 -61.7 -43.29 99.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.0 m -58.34 -35.34 71.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.856 0.36 . . . . 0.0 111.576 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.0 -28.55 58.32 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.65 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -56.52 -40.3 74.82 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.376 -178.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.504 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.1 mt-10 -143.81 138.5 28.76 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.916 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.89 -166.13 54.72 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -72.09 145.91 47.87 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.906 0.384 . . . . 0.0 110.042 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -59.29 -35.49 73.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.757 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.555 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 1.0 OUTLIER -88.23 -4.54 58.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.061 -177.348 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.562 ' NZ ' ' CD ' ' B' ' 68' ' ' GLU . 19.9 tptm -114.65 131.25 56.79 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.346 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.514 ' O ' ' O ' ' B' ' 69' ' ' VAL . 25.7 mt -99.26 135.05 41.23 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.481 0.658 . . . . 0.0 111.67 178.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.6 p -101.69 160.93 14.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.603 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.4 -39.31 70.02 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.531 -0.868 . . . . 0.0 110.197 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -62.38 -53.18 58.76 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.73 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.504 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.0 mt-10 -63.8 -41.11 97.97 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 119.352 -0.939 . . . . 0.0 110.608 -176.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 55.6 tp -63.95 -45.72 87.89 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.8 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.707 ' HZ1' ' NE2' ' B' ' 38' ' ' GLN . 17.8 tptp -60.86 -42.05 97.09 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 121.877 0.846 . . . . 0.0 111.035 178.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -70.0 -38.23 75.92 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 114.696 -1.138 . . . . 0.0 112.349 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.472 ' CD2' ' CG ' ' B' ' 18' ' ' HIS . 65.6 mt -68.25 -45.85 72.07 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.605 -0.838 . . . . 0.0 112.244 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 71.9 mt -69.59 -45.1 69.4 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.653 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.707 ' NE2' ' HZ1' ' B' ' 34' ' ' LYS . 51.7 tt0 -64.58 -41.92 95.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.969 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.3 t -81.85 -47.05 13.28 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.857 -0.737 . . . . 0.0 112.487 -178.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.503 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 75.9 mm-40 -72.95 -34.72 66.7 Favored 'General case' 0 N--CA 1.46 0.072 0 C-N-CA 119.66 -0.816 . . . . 0.0 111.251 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -123.93 58.01 1.18 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.716 0.293 . . . . 0.0 110.558 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 24.0 m -55.19 -32.79 62.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.638 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.3 -68.35 1.41 Allowed Glycine 0 CA--C 1.53 0.98 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.341 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -58.35 -43.36 88.29 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' B' ' 47' ' ' ALA . 1.5 mm? -91.43 -3.6 56.48 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.3 t0 -22.5 75.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.642 0.589 . . . . 0.0 112.562 -177.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.698 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -68.83 -20.4 64.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.041 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -55.53 -35.03 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.72 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.504 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 52.1 mtmt -58.54 -35.67 72.68 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.004 -0.678 . . . . 0.0 111.183 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 91.4 m-20 -139.94 94.21 2.74 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 40.1 t -59.52 -44.61 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 111.403 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.27 -33.83 71.53 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.422 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.14 -28.68 64.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.933 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.61 -44.81 81.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.117 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' B' ' 58' ' ' MET . 89.9 m-20 -62.26 -40.96 97.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.42 0.629 . . . . 0.0 110.276 178.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -59.41 -39.56 83.84 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.688 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 68.9 t -67.49 -45.24 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.038 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.554 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.0 ppp? -62.61 -37.78 87.59 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.04 -0.664 . . . . 0.0 111.812 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -57.04 -38.36 73.1 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 118.327 -1.349 . . . . 0.0 108.931 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.93 -36.29 82.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.092 177.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.65 -37.55 85.03 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.296 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.484 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 38.5 t0 -84.51 100.06 11.12 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.122 -1.031 . . . . 0.0 112.669 -178.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -69.53 -39.77 77.28 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.558 0.694 . . . . 0.0 110.762 176.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.484 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 22.9 m120 -59.79 -36.68 77.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.297 -177.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.99 3.95 69.69 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 108.282 -1.927 . . . . 0.0 108.282 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.641 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.8 p30 -62.36 -31.46 72.11 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 114.328 -0.936 . . . . 0.0 112.104 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.641 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 100.41 -4.55 56.89 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.562 ' CD ' ' NZ ' ' B' ' 27' ' ' LYS . 80.8 tt0 -116.95 143.4 45.76 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' B' ' 28' ' ' LEU . 52.6 t -106.38 134.47 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.51 0.671 . . . . 0.0 112.302 -178.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.3 t0 -105.79 152.05 23.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.385 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.517 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 81.4 t80 -53.23 -41.51 65.48 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.061 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.08 -41.57 83.7 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.239 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.484 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 97.8 mt-10 -68.47 -40.21 81.1 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.392 0.615 . . . . 0.0 111.05 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.416 ' CE2' ' CZ ' ' B' ' 15' ' ' PHE . 90.3 t80 -62.81 -40.43 97.35 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.405 HG22 ' N ' ' B' ' 76' ' ' VAL . 33.6 m -64.38 -32.73 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.405 ' N ' HG22 ' B' ' 75' ' ' VAL . 69.3 t -63.9 -50.47 77.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 118.809 -1.157 . . . . 0.0 111.887 -178.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 50.7 mt -76.27 -35.58 58.85 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 p -55.26 -35.0 34.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 119.414 -0.915 . . . . 0.0 110.394 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.434 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.07 -37.91 81.3 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.54 -40.56 76.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.454 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.84 -39.48 94.49 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.563 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.0 OUTLIER -61.39 -41.54 97.3 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 119.106 -1.038 . . . . 0.0 109.724 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.44 -41.51 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.28 -30.37 71.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.988 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.563 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -54.88 -35.98 64.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.196 -179.579 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.452 ' ND2' ' SG ' ' B' ' 85' ' ' CYS . 2.9 m120 -57.13 -34.7 68.66 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.429 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.683 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.82 0.343 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.64 -34.74 76.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.319 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.412 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 31.5 tp -58.81 -39.55 81.52 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.033 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.18 -40.65 86.3 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 119.371 -0.932 . . . . 0.0 108.607 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.9 m -65.96 -37.59 86.38 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.955 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.96 83.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.866 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.5 mtm -58.47 -40.42 82.65 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 118.949 -1.1 . . . . 0.0 109.103 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.576 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.8 mt-10 -66.87 -36.55 82.58 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.205 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.8 m -61.54 -43.3 99.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.83 -46.19 90.55 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 120.091 -0.643 . . . . 0.0 111.203 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.66 -43.33 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.742 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.576 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 86.0 m-20 -59.58 -38.19 80.52 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.933 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.532 ' CG1' ' OE2' ' A' ' 40' ' ' GLU . 95.8 t -65.05 -43.84 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 90.2 t80 -59.99 -46.55 89.1 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.023 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -60.61 -40.17 90.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.045 0.45 . . . . 0.0 111.002 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.99 98.97 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -103.38 -42.22 5.78 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.484 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 85.6 p -61.31 -32.59 72.45 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.096 -178.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.79 -31.98 80.13 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.512 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -58.05 -36.75 73.23 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.52 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 78.1 mm-40 -127.61 147.81 50.36 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.696 0.76 . . . . 0.0 112.972 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.3 -141.58 43.72 Favored Glycine 0 CA--C 1.521 0.451 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.813 177.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -83.21 128.95 34.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.479 -0.861 . . . . 0.0 110.422 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -56.31 -38.7 71.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.566 0.698 . . . . 0.0 110.056 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.582 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 m-30 -74.19 -20.41 60.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.466 -1.243 . . . . 0.0 113.014 -176.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -113.89 144.89 42.28 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.884 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.529 ' O ' ' O ' ' A' ' 69' ' ' VAL . 4.9 tt -102.5 128.55 49.08 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.416 ' N ' HD22 ' A' ' 28' ' ' LEU . 84.2 p -102.16 159.78 15.09 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.971 0.415 . . . . 0.0 111.454 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -54.45 -39.07 67.07 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.577 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -60.19 -49.75 76.41 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.847 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 98.5 mt-10 -62.49 -38.16 88.79 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.261 -177.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.7 tp -62.9 -44.07 97.08 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.48 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.584 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 4.8 tptp -59.39 -41.53 89.59 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.613 178.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -71.24 -40.72 70.85 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.702 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 95.0 mt -64.4 -47.93 77.32 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.288 -0.965 . . . . 0.0 111.903 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.592 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 5.5 mp -70.65 -42.78 70.38 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.698 -0.801 . . . . 0.0 112.09 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.584 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.0 tt0 -62.56 -41.73 99.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.4 t -86.61 -45.72 10.77 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.646 -0.822 . . . . 0.0 112.562 -179.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.532 ' OE2' ' CG1' ' A' ' 14' ' ' VAL . 95.8 mt-10 -73.67 -33.53 64.49 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 120.236 -0.586 . . . . 0.0 112.494 -177.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 mp -120.54 43.48 2.73 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.053 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.8 p -57.11 -24.7 55.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.682 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.43 -69.12 1.31 Allowed Glycine 0 CA--C 1.533 1.208 0 C-N-CA 121.193 -0.527 . . . . 0.0 111.907 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.97 -43.13 86.29 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.493 ' O ' ' C ' ' A' ' 46' ' ' ASP . 8.8 mp -94.03 -0.31 55.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.571 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 53.2 p30 -20.93 120.77 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 122.402 1.096 . . . . 0.0 112.798 -177.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.18 -18.24 65.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.013 -1.448 . . . . 0.0 112.215 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.34 -34.99 62.23 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.109 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -112.43 141.14 46.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 56.28 50.93 12.39 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.222 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.3 t -53.12 -37.48 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.682 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 49.4 p30 -78.93 9.57 4.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.785 0.326 . . . . 0.0 110.987 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.95 -30.8 69.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.151 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.0 t -57.62 -47.82 84.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.344 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -65.8 -43.62 88.13 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.734 0.778 . . . . 0.0 110.736 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 21.0 mtmm -59.0 -40.79 85.99 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.912 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.8 m -76.56 -37.09 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.217 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.581 ' C ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -59.56 -39.33 83.68 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.247 179.717 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.435 ' N ' ' HG3' ' A' ' 58' ' ' MET . 68.5 mttm -58.15 -38.51 76.73 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 118.823 -1.151 . . . . 0.0 109.707 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.44 -37.1 85.89 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.141 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.487 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 59.1 mt -67.03 -35.6 80.24 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.407 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.617 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 48.7 t0 -70.77 82.43 0.63 Allowed 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.985 -177.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.73 -38.18 88.44 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.174 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.462 ' ND2' ' OD2' ' A' ' 66' ' ' ASP . 33.2 p-10 -89.05 1.54 55.4 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.118 -0.633 . . . . 0.0 112.468 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.473 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 74.22 27.17 66.61 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.254 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.617 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 55.2 p30 -104.95 155.18 19.18 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 122.291 1.043 . . . . 0.0 110.048 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.8 -28.28 62.93 Favored Glycine 0 C--N 1.298 -1.577 0 CA-C-N 113.828 -1.533 . . . . 0.0 112.287 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.528 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 42.3 tp10 -95.37 146.62 24.26 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.502 0.668 . . . . 0.0 111.945 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.529 ' O ' ' O ' ' A' ' 28' ' ' LEU . 47.0 t -110.31 135.26 49.92 Favored 'Isoleucine or valine' 0 C--N 1.338 0.093 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.243 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 56.9 t0 -99.06 145.39 27.16 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.431 0.634 . . . . 0.0 111.401 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.559 ' CE2' ' CG2' ' A' ' 75' ' ' VAL . 90.0 t80 -52.24 -39.81 60.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.892 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -56.84 -40.62 76.41 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.859 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.487 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 99.6 mt-10 -65.95 -41.98 90.55 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.448 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.582 ' CZ ' ' CG2' ' A' ' 78' ' ' VAL . 82.2 t80 -64.85 -41.31 95.81 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.559 ' CG2' ' CE2' ' A' ' 71' ' ' PHE . 78.8 t -58.29 -40.96 79.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.181 -0.608 . . . . 0.0 111.519 -177.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.21 -43.54 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.597 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 tp -63.86 -39.83 95.13 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.816 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.582 ' CG2' ' CZ ' ' A' ' 74' ' ' TYR . 53.1 t -58.71 -40.29 79.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.887 -179.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.54 87.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.106 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.29 -43.87 66.29 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.366 -0.534 . . . . 0.0 111.704 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.495 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 74.8 mt -64.92 -40.03 94.43 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -62.2 -42.6 99.44 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.763 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.6 t -63.9 -41.52 92.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.882 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.93 -33.33 75.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 73.1 m -56.21 -35.83 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.424 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.33 -34.6 66.73 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.312 0.577 . . . . 0.0 110.195 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 48.0 t30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.435 -179.527 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.848 0.356 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.6 -34.8 76.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.264 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.413 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 31.4 tp -58.72 -39.54 81.12 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.107 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.24 -40.58 86.39 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 119.4 -0.92 . . . . 0.0 108.661 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.3 m -65.93 -37.66 86.63 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.967 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.36 -47.02 83.86 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.829 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.3 mtm -58.52 -40.55 83.21 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.032 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.593 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.8 mt-10 -66.7 -36.59 82.86 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.306 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 44.9 m -61.49 -43.39 98.94 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.052 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.82 -46.18 90.62 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.467 0.651 . . . . 0.0 111.208 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.2 mt -65.68 -43.4 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.68 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.593 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 86.1 m-20 -59.52 -38.19 80.33 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.892 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.531 ' CG1' ' OE2' ' B' ' 40' ' ' GLU . 96.1 t -64.99 -43.84 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 90.1 t80 -60.04 -46.42 89.57 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.112 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -60.69 -40.14 91.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.101 0.476 . . . . 0.0 110.955 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -40.98 99.09 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -103.36 -42.23 5.78 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 -177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 85.2 p -61.14 -32.66 72.36 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.176 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.79 -32.04 80.34 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.473 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.09 -36.71 73.24 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.523 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 78.0 mm-40 -127.63 147.75 50.37 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.749 0.785 . . . . 0.0 112.957 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.39 -141.61 43.85 Favored Glycine 0 CA--C 1.521 0.425 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.801 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -83.24 129.02 34.98 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.498 -0.851 . . . . 0.0 110.396 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -56.35 -38.6 71.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.596 0.712 . . . . 0.0 110.123 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.576 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.2 m-30 -74.25 -20.38 60.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.395 -1.275 . . . . 0.0 113.017 -176.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -113.98 144.84 42.42 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.524 ' O ' ' O ' ' B' ' 69' ' ' VAL . 4.8 tt -102.44 128.54 49.0 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.424 ' N ' HD22 ' B' ' 28' ' ' LEU . 84.2 p -102.09 159.8 15.06 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.956 0.408 . . . . 0.0 111.477 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -54.58 -38.93 67.29 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.528 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -60.3 -49.76 76.3 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.784 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.523 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 98.5 mt-10 -62.55 -38.06 88.58 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.254 -177.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 50.7 tp -62.98 -44.07 97.05 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.464 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.583 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 4.9 tptp -59.35 -41.48 89.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.642 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -71.33 -40.62 70.63 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.688 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 95.0 mt -64.41 -47.99 77.09 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 119.325 -0.95 . . . . 0.0 111.923 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.591 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 5.6 mp -70.67 -42.76 70.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.776 -0.77 . . . . 0.0 112.031 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.583 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.0 tt0 -62.6 -41.67 99.12 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.4 t -86.66 -45.63 10.82 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.62 -0.832 . . . . 0.0 112.54 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.531 ' OE2' ' CG1' ' B' ' 14' ' ' VAL . 95.9 mt-10 -73.77 -33.6 64.32 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.4 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 mp -120.46 43.47 2.72 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.155 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -57.09 -24.66 55.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.716 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.36 -69.25 1.31 Allowed Glycine 0 CA--C 1.533 1.182 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.911 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.88 -43.16 85.87 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.512 ' O ' ' C ' ' B' ' 46' ' ' ASP . 8.9 mp -94.11 -0.26 55.43 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.584 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 53.1 p30 -20.9 120.74 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 122.422 1.106 . . . . 0.0 112.807 -177.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.24 -18.15 65.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 113.953 -1.476 . . . . 0.0 112.22 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.42 -34.89 62.22 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.109 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -112.45 141.15 46.53 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 56.32 50.93 12.33 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.182 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -53.13 -37.47 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.758 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.454 ' C ' ' OD1' ' B' ' 52' ' ' ASP . 49.4 p30 -78.91 9.5 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.802 0.334 . . . . 0.0 111.003 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.92 -30.7 69.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.168 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 76.1 t -57.81 -47.64 85.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.27 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -65.91 -43.59 87.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.714 0.769 . . . . 0.0 110.669 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.437 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 21.0 mtmm -59.08 -40.77 86.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.867 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 15.7 m -76.52 -37.18 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 C-N-CA 119.243 -0.983 . . . . 0.0 111.275 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.579 ' C ' ' SD ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -59.5 -39.29 83.32 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 119.221 -0.992 . . . . 0.0 110.28 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' B' ' 58' ' ' MET . 68.6 mttm -58.28 -38.38 76.86 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 118.797 -1.161 . . . . 0.0 109.72 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.41 -37.19 86.21 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.207 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.477 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 59.0 mt -66.94 -35.62 80.39 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.455 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.627 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 48.6 t0 -70.77 82.46 0.63 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.348 -0.941 . . . . 0.0 111.003 -177.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.81 -38.2 88.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.086 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.498 ' ND2' ' OD2' ' B' ' 66' ' ' ASP . 33.3 p-10 -89.02 1.5 55.43 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.107 -0.637 . . . . 0.0 112.503 -178.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.46 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 74.27 27.15 66.54 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.232 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.627 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 55.2 p30 -105.03 155.21 19.18 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 122.25 1.024 . . . . 0.0 110.066 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.84 -28.26 63.0 Favored Glycine 0 C--N 1.298 -1.568 0 CA-C-N 113.842 -1.526 . . . . 0.0 112.239 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.534 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 42.3 tp10 -95.37 146.6 24.27 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.534 0.683 . . . . 0.0 111.9 -177.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.524 ' O ' ' O ' ' B' ' 28' ' ' LEU . 46.8 t -110.3 135.27 49.85 Favored 'Isoleucine or valine' 0 C--N 1.339 0.131 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.28 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 56.9 t0 -99.07 145.3 27.27 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.476 0.655 . . . . 0.0 111.417 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.559 ' CE2' ' CG2' ' B' ' 75' ' ' VAL . 89.9 t80 -52.02 -39.91 60.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.967 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -56.83 -40.63 76.4 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.857 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.477 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 99.6 mt-10 -65.98 -41.93 90.49 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.258 0.551 . . . . 0.0 110.478 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.58 ' CE2' ' CG2' ' B' ' 78' ' ' VAL . 82.6 t80 -64.86 -41.28 95.8 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.559 ' CG2' ' CE2' ' B' ' 71' ' ' PHE . 78.3 t -58.33 -40.86 79.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.549 -177.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.29 -43.54 96.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.535 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.89 -39.88 95.23 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.716 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.58 ' CG2' ' CE2' ' B' ' 74' ' ' TYR . 53.1 t -58.72 -40.29 79.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.855 -179.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.52 87.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.994 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.18 -43.88 66.57 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.744 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.491 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 75.0 mt -64.93 -40.09 94.51 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -62.17 -42.56 99.38 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.226 -0.99 . . . . 0.0 109.808 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 89.3 t -63.97 -41.47 92.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.922 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.29 75.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.135 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 73.2 m -56.29 -35.75 67.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.31 -34.62 66.68 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.338 0.59 . . . . 0.0 110.238 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 48.0 t30 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.493 -179.536 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.418 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 50.7 m . . . . . 0 N--CA 1.462 0.138 0 CA-C-O 120.774 0.321 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.48 -38.37 90.87 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.27 -39.5 93.11 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.56 -178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.82 -40.75 89.49 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 119.693 -0.803 . . . . 0.0 108.903 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -65.03 -37.8 88.81 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.38 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.53 99.35 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.023 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.5 mtm -57.34 -40.44 78.01 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 118.348 -1.341 . . . . 0.0 108.542 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.59 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 98.0 mt-10 -67.3 -37.14 82.89 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.682 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.6 m -61.24 -42.82 99.28 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.231 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.47 -45.66 92.9 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.787 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.78 -41.42 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.637 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.59 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 86.6 m-20 -60.03 -39.29 85.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.641 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.99 -42.86 89.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.688 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 76.6 t80 -58.63 -49.14 78.58 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.231 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -62.67 -40.21 96.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.573 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.56 -43.97 97.5 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.433 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 34.7 m80 -101.05 -32.13 10.75 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -177.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m -62.64 -38.94 92.26 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.559 -0.856 . . . . 0.0 111.942 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.79 -28.89 72.47 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 115.85 1.1 . . . . 0.0 115.85 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 18' ' ' HIS . 51.9 pttt -56.17 -42.78 77.58 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.609 1.205 . . . . 0.0 112.475 -176.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.577 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 97.9 mt-10 -137.15 149.83 47.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.4 0.619 . . . . 0.0 112.064 178.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.87 -157.99 53.64 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.623 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -79.23 133.84 36.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.926 -0.637 . . . . 0.0 109.52 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -56.65 -38.7 72.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.938 0.875 . . . . 0.0 109.606 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.525 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 59.6 m-85 -70.85 -24.12 62.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.976 -1.465 . . . . 0.0 113.537 -178.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -114.27 142.88 45.72 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -100.42 134.55 43.2 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.352 -1.295 . . . . 0.0 108.349 175.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -94.39 161.09 14.38 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -51.52 -39.98 58.73 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.004 -1.078 . . . . 0.0 108.925 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -62.24 -51.11 69.06 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.154 -0.618 . . . . 0.0 112.227 177.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.577 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.7 mt-10 -64.1 -40.44 96.21 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.582 0.706 . . . . 0.0 111.065 -175.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -64.81 -41.18 95.98 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.394 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -60.56 -44.8 95.76 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 114.547 -1.206 . . . . 0.0 111.206 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -68.17 -37.33 80.88 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.774 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.422 ' CD2' ' ND1' ' A' ' 18' ' ' HIS . 93.1 mt -65.85 -46.91 76.77 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 119.054 -1.059 . . . . 0.0 111.676 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.6 mt -69.37 -42.13 75.59 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.836 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.9 -41.66 97.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.492 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.2 t -83.53 -45.63 13.35 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.344 -0.542 . . . . 0.0 112.369 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.487 ' N ' ' CG2' ' A' ' 39' ' ' THR . 76.3 mm-40 -71.48 -35.19 70.73 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.087 -178.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mp -124.28 48.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -55.33 -33.05 63.0 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.351 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.05 -62.41 1.67 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.404 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -58.63 -44.88 90.14 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.695 ' O ' ' N ' ' A' ' 47' ' ' ALA . 7.5 mp -96.08 -1.78 48.0 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.531 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 53.9 p30 -18.88 75.74 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 122.013 0.911 . . . . 0.0 112.595 -177.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.695 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -67.85 -15.67 63.73 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 114.264 -1.335 . . . . 0.0 111.816 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -53.98 -35.91 62.34 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.044 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 92.3 mttt -59.59 -36.69 76.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.491 0.662 . . . . 0.0 109.595 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 88.5 m-20 -136.53 89.74 2.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.053 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.15 -43.66 93.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.305 0.574 . . . . 0.0 111.487 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -58.23 -32.8 68.66 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.637 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.1 -30.46 62.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.637 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.2 t -57.71 -43.65 84.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.388 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.62 -40.42 91.82 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.617 0.722 . . . . 0.0 109.588 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt -61.01 -39.29 89.15 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.854 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.16 -45.87 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.047 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.473 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 ppp? -64.55 -35.61 81.53 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.998 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 58' ' ' MET . 82.9 tttt -57.73 -41.06 81.06 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.773 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.2 -36.4 84.05 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.352 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.44 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 88.4 mt -66.41 -36.45 82.85 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.536 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.512 ' OD1' ' OD1' ' A' ' 64' ' ' ASN . 49.9 t0 -79.66 98.38 6.92 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.032 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -77.38 -34.86 54.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.729 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.512 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 44.3 p-10 -90.7 0.89 57.26 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.445 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 70.61 13.8 71.79 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.896 178.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.647 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.4 p30 -62.06 -33.47 74.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.647 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.51 -6.32 65.31 Favored Glycine 0 C--N 1.321 -0.26 0 N-CA-C 108.995 -1.642 . . . . 0.0 108.995 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 82.3 tt0 -111.68 141.87 44.74 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.7 t -105.14 132.8 51.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.494 0.664 . . . . 0.0 111.172 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.4 t0 -98.64 147.53 24.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.924 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.688 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 52.4 t80 -51.69 -37.71 51.85 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -59.01 -38.36 79.07 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.039 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 98.4 mt-10 -68.71 -42.29 77.89 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.46 0.647 . . . . 0.0 110.512 178.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -66.3 -43.0 87.51 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.402 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 30.6 m -65.2 -36.7 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -177.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.94 -40.37 78.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 118.616 -1.233 . . . . 0.0 110.722 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 tp -67.73 -41.77 82.94 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.39 -0.524 . . . . 0.0 112.368 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 p -59.19 -35.37 57.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 C-N-CA 119.713 -0.795 . . . . 0.0 111.369 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.4 -38.12 82.99 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.084 0.469 . . . . 0.0 110.002 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.03 -41.36 74.36 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.864 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.47 -39.24 93.95 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.2 t -59.35 -40.95 88.05 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.176 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.73 -40.28 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.29 75.07 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.7 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.0 m -54.46 -35.72 63.32 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.199 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -56.37 -34.8 67.0 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.363 0.601 . . . . 0.0 110.272 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.257 -179.471 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.41 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 50.8 m . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.782 0.325 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.32 -38.52 91.48 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.23 -39.56 93.2 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 120.023 -0.671 . . . . 0.0 111.569 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.74 -40.72 89.06 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.6 -0.84 . . . . 0.0 108.97 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.3 m -65.08 -37.64 88.18 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.467 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.57 99.41 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.047 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 54.2 mtm -57.26 -40.58 77.97 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 118.379 -1.329 . . . . 0.0 108.524 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.601 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.9 mt-10 -67.16 -37.23 83.4 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.739 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.0 m -61.18 -42.85 99.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.228 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.46 -45.6 93.13 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.71 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.7 mt -65.91 -41.35 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.597 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 86.6 m-20 -60.05 -39.35 85.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.626 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.88 -43.02 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 76.6 t80 -58.69 -49.01 79.16 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.25 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -62.64 -40.25 96.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.567 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.01 97.42 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.441 ' O ' ' HG2' ' B' ' 21' ' ' LYS . 34.9 m80 -101.05 -32.22 10.71 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -177.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m -62.51 -38.96 91.97 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.99 -178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.89 -28.86 72.57 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 115.748 1.059 . . . . 0.0 115.748 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' B' ' 18' ' ' HIS . 52.0 pttt -56.23 -42.68 77.66 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 118.622 1.211 . . . . 0.0 112.496 -176.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.571 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 97.9 mt-10 -137.26 149.83 47.4 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.412 0.625 . . . . 0.0 112.067 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.89 -158.02 53.65 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.637 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -79.17 133.83 36.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.87 -0.665 . . . . 0.0 109.523 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -56.69 -38.68 72.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.924 0.869 . . . . 0.0 109.642 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.51 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 59.3 m-85 -70.83 -24.13 62.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.891 -1.504 . . . . 0.0 113.513 -178.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -114.28 142.84 45.77 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.8 mt -100.49 134.61 43.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.342 -1.299 . . . . 0.0 108.274 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.3 t -94.48 160.93 14.43 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -51.43 -39.93 58.36 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 118.905 -1.118 . . . . 0.0 108.973 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -62.16 -51.16 68.95 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.216 -0.593 . . . . 0.0 112.197 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.571 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.7 mt-10 -64.18 -40.42 96.06 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.635 0.731 . . . . 0.0 110.983 -175.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -64.81 -41.15 96.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.402 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -60.59 -44.73 95.93 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.291 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -68.22 -37.34 80.73 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.77 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.413 ' CD2' ' ND1' ' B' ' 18' ' ' HIS . 93.1 mt -65.86 -46.88 76.83 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.685 178.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 75.1 mt -69.38 -42.07 75.66 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.826 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.92 -41.63 97.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.533 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.2 t -83.52 -45.7 13.28 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.357 -0.537 . . . . 0.0 112.365 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' B' ' 39' ' ' THR . 76.3 mm-40 -71.41 -35.26 70.93 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.107 -178.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mp -124.3 48.33 1.95 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -55.21 -33.22 62.87 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.305 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.01 -62.4 1.67 Allowed Glycine 0 CA--C 1.531 1.063 0 C-N-CA 120.989 -0.625 . . . . 0.0 112.331 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -58.73 -44.77 90.54 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.692 ' O ' ' N ' ' B' ' 47' ' ' ALA . 7.5 mp -96.13 -1.76 47.87 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.537 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 54.1 p30 -18.85 75.78 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 122.057 0.932 . . . . 0.0 112.62 -177.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.692 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -67.85 -15.75 63.77 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.806 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -53.94 -35.83 62.16 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.115 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.424 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 92.2 mttt -59.69 -36.59 76.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.526 0.679 . . . . 0.0 109.597 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 88.4 m-20 -136.53 89.74 2.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.078 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.09 -43.87 93.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.255 0.55 . . . . 0.0 111.441 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -58.16 -32.64 68.39 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.7 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.31 -30.36 62.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.547 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.74 -43.61 84.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.438 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -60.64 -40.38 91.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.579 0.704 . . . . 0.0 109.621 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -61.0 -39.26 89.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.88 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.15 -45.86 89.16 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.021 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.478 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -64.48 -35.74 81.92 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.924 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.431 ' N ' ' HG3' ' B' ' 58' ' ' MET . 82.9 tttt -57.6 -41.03 80.4 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.812 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.31 -36.39 83.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.261 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.436 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 88.5 mt -66.44 -36.45 82.82 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.523 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.517 ' OD1' ' OD1' ' B' ' 64' ' ' ASN . 49.9 t0 -79.66 98.37 6.92 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.977 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -77.33 -34.94 55.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.76 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.517 ' OD1' ' OD1' ' B' ' 62' ' ' ASP . 44.1 p-10 -90.73 1.03 57.22 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.439 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 70.54 13.96 71.75 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.792 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.652 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.6 p30 -62.17 -33.44 74.52 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.652 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.58 -6.47 65.23 Favored Glycine 0 CA--C 1.518 0.244 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.468 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 82.2 tt0 -111.65 141.86 44.71 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 45.7 t -105.11 132.83 50.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.479 0.657 . . . . 0.0 111.172 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.5 t0 -98.75 147.48 24.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.822 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 52.2 t80 -51.62 -37.72 51.39 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -58.92 -38.42 78.89 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.065 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 98.5 mt-10 -68.69 -42.29 77.98 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.488 0.661 . . . . 0.0 110.495 178.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -66.36 -43.11 86.91 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.416 ' CG1' ' CZ ' ' B' ' 71' ' ' PHE . 30.5 m -65.16 -36.73 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.98 -40.33 78.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 C-N-CA 118.665 -1.214 . . . . 0.0 110.75 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 tp -67.8 -41.74 82.66 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 p -59.23 -35.33 57.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.354 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.439 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.39 -38.15 83.07 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.566 -0.453 . . . . 0.0 109.984 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.98 -41.31 74.61 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.883 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.6 -39.16 93.66 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.2 t -59.31 -40.9 87.71 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.236 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.8 -40.25 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.3 75.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.724 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 71.0 m -54.51 -35.59 63.3 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.224 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -56.4 -34.89 67.16 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.386 0.612 . . . . 0.0 110.264 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.3 -179.453 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.431 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 40.1 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.803 0.335 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.19 -35.46 78.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.843 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.401 ' CD2' ' C ' ' A' ' 4' ' ' LEU . 7.5 tt -59.34 -40.37 86.16 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.95 -40.93 90.69 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.117 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.476 ' O ' ' OG1' ' A' ' 10' ' ' THR . 47.7 m -65.78 -38.09 88.08 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.183 177.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.31 -51.59 62.71 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -39.14 88.94 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 118.709 -1.196 . . . . 0.0 110.031 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.492 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.8 mt-10 -65.43 -37.1 85.91 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.756 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' A' ' 6' ' ' THR . 51.2 m -61.56 -43.08 99.52 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.746 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.542 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 92.3 mt -61.9 -43.02 99.7 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.794 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.8 mt -63.61 -46.67 94.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.777 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 84.2 m-20 -61.93 -40.62 96.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.181 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.1 t -67.83 -46.12 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.146 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.569 ' CE2' ' CE2' ' A' ' 74' ' ' TYR . 2.0 m-85 -64.57 -48.12 76.2 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 121.537 0.684 . . . . 0.0 109.97 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -62.77 -40.23 96.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.96 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.04 92.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.211 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.497 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 62.7 m170 -88.36 -28.37 21.02 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.756 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.1 t -59.06 -36.42 75.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.17 0.51 . . . . 0.0 111.271 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.44 -29.58 60.77 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 115.558 -0.747 . . . . 0.0 113.601 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.497 ' NZ ' ' O ' ' A' ' 18' ' ' HIS . 31.7 mtmm -56.89 -39.87 75.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.904 0.852 . . . . 0.0 111.995 -177.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.544 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -139.16 141.11 38.02 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.416 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.39 -163.59 52.89 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 178.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.31 143.47 48.67 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.859 0.361 . . . . 0.0 110.198 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.57 -39.03 82.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 122.352 1.072 . . . . 0.0 109.33 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 68.3 m-85 -69.18 -27.59 65.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 113.204 -1.816 . . . . 0.0 113.232 -177.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -112.75 142.71 45.06 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.458 ' CD1' ' CE2' ' A' ' 74' ' ' TYR . 87.3 mt -99.56 138.79 36.16 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.53 -1.214 . . . . 0.0 108.768 175.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -100.45 163.65 12.27 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.584 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 86.0 tttt -52.76 -41.46 64.08 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.229 -177.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.1 -51.46 69.03 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.825 -0.75 . . . . 0.0 111.998 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.544 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.7 mt-10 -63.58 -39.32 94.08 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.774 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.0 -41.33 99.55 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.248 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.458 ' NZ ' ' NE2' ' A' ' 38' ' ' GLN . 14.8 tptp -61.28 -46.74 89.08 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.236 176.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.59 -36.11 81.83 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.033 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.502 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -68.23 -47.69 67.11 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 119.721 -0.791 . . . . 0.0 111.443 179.603 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' CD2' ' HH ' ' A' ' 74' ' ' TYR . 70.6 mt -68.5 -44.07 75.49 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 119.416 -0.913 . . . . 0.0 110.983 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.458 ' NE2' ' NZ ' ' A' ' 34' ' ' LYS . 51.8 tt0 -64.25 -42.17 96.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.471 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.1 t -80.38 -43.0 21.81 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.196 -0.602 . . . . 0.0 112.297 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.446 ' N ' ' CG2' ' A' ' 39' ' ' THR . 77.0 mm-40 -71.33 -35.72 71.32 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.593 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mp -126.31 58.39 1.37 Allowed 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.277 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -55.14 -32.12 61.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.552 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.94 -67.54 1.38 Allowed Glycine 0 CA--C 1.53 1.013 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.078 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -58.52 -44.4 89.5 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.653 ' O ' ' N ' ' A' ' 47' ' ' ALA . 59.5 mt -92.72 -1.79 56.55 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.541 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 55.8 p30 -20.74 78.59 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.848 0.832 . . . . 0.0 112.497 -178.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.653 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -63.35 -24.45 67.86 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 114.838 -1.073 . . . . 0.0 111.206 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.45 -34.33 64.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.31 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.492 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 74.9 mmtt -58.68 -36.76 74.71 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 90.8 m-20 -140.8 88.21 2.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.296 -1.32 . . . . 0.0 110.469 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.51 -39.31 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.948 0.404 . . . . 0.0 110.636 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.639 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.7 p30 -61.38 -30.8 70.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.663 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.639 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -59.11 -30.85 68.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.599 -178.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -57.87 -44.07 85.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.329 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.584 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 86.3 m-20 -60.99 -41.47 96.57 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.796 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -60.14 -39.07 85.04 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.698 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.23 -45.16 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.344 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.486 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.5 ppp? -65.78 -38.35 88.81 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.964 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.43 ' N ' ' HG3' ' A' ' 58' ' ' MET . 92.5 mttt -59.32 -38.14 79.53 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 119.564 -0.854 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.42 -38.16 90.05 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.354 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.431 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 81.5 mt -67.6 -36.59 81.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.664 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 99.3 m-20 -98.0 33.87 2.04 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.876 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -52.17 -30.52 27.3 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 121.585 0.707 . . . . 0.0 109.273 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.529 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 12.5 m120 -52.91 -34.39 54.83 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.752 -178.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.32 3.9 62.96 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.686 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.5 p30 -61.47 -35.88 78.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.829 -0.686 . . . . 0.0 112.083 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.686 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 93.59 -10.83 72.31 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.508 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 83.7 tt0 -119.48 149.51 41.77 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.0 t -97.02 128.63 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.678 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -88.06 130.78 34.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.276 -1.329 . . . . 0.0 110.425 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -50.59 -42.52 55.89 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.818 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.73 -42.23 88.27 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.667 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.529 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.4 mt-10 -67.4 -39.77 85.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.07 0.462 . . . . 0.0 111.593 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.569 ' CE2' ' CE2' ' A' ' 15' ' ' PHE . 23.1 t80 -64.55 -44.19 91.56 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -179.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.5 m -67.39 -34.71 70.51 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.554 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.8 t -61.51 -44.52 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.195 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.7 tp -64.82 -39.19 93.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.977 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.403 ' O ' HG22 ' A' ' 82' ' ' THR . 52.6 t -58.56 -39.53 75.88 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.76 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.407 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -57.14 -39.25 74.83 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.501 -178.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.77 75.69 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.369 -0.533 . . . . 0.0 111.318 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.68 -38.86 92.72 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.556 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 0.6 OUTLIER -60.39 -40.38 90.72 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.329 -0.948 . . . . 0.0 109.786 -179.611 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.95 -42.09 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.66 -31.83 73.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.785 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -55.55 -40.55 72.04 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.142 -179.313 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.545 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 19.2 t-20 -58.64 -38.24 77.68 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.408 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 . . . . . 0 CA--C 1.519 -0.222 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.935 -179.087 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.439 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 40.5 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.722 0.296 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.12 -35.58 79.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.843 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.5 tt -59.2 -40.51 85.99 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.02 -40.96 91.1 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.021 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.487 ' O ' ' OG1' ' B' ' 10' ' ' THR . 47.5 m -65.69 -38.09 88.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.203 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.32 -51.63 62.5 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.514 -0.766 . . . . 0.0 113.01 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -39.26 89.03 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.139 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.493 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.8 mt-10 -65.29 -37.17 86.33 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.746 178.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' B' ' 6' ' ' THR . 51.9 m -61.59 -43.1 99.48 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.68 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.538 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 92.7 mt -61.88 -43.03 99.68 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.792 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.431 HG23 HD11 ' B' ' 12' ' ' ILE . 79.9 mt -63.62 -46.64 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.725 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 84.2 m-20 -62.01 -40.58 96.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.164 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 75.8 t -67.82 -46.15 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.191 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.561 ' CE2' ' CE2' ' B' ' 74' ' ' TYR . 2.0 m-85 -64.43 -48.22 76.13 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.591 0.71 . . . . 0.0 109.97 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -62.77 -40.24 96.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.95 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.1 92.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.204 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.504 ' O ' ' NZ ' ' B' ' 21' ' ' LYS . 62.6 m170 -88.38 -28.41 20.97 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.732 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -59.06 -36.32 74.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.15 0.5 . . . . 0.0 111.374 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.49 -29.63 60.97 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-N 115.526 -0.761 . . . . 0.0 113.581 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' B' ' 18' ' ' HIS . 31.7 mtmm -56.89 -39.78 75.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.958 0.879 . . . . 0.0 111.954 -177.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.9 mm-40 -139.18 141.03 37.98 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.29 -0.564 . . . . 0.0 111.374 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.49 -163.53 53.07 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.49 -0.862 . . . . 0.0 110.98 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -72.41 143.47 48.51 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.81 0.338 . . . . 0.0 110.19 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.59 -38.92 82.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 122.288 1.042 . . . . 0.0 109.356 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.504 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 68.8 m-85 -69.27 -27.55 65.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.181 -1.827 . . . . 0.0 113.222 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -112.79 142.69 45.13 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.458 ' CD1' ' CE2' ' B' ' 74' ' ' TYR . 87.4 mt -99.51 138.83 36.05 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 114.516 -1.22 . . . . 0.0 108.763 175.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -100.5 163.62 12.28 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.599 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 85.9 tttt -52.79 -41.44 64.13 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.27 -177.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.01 -51.51 68.91 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.764 -0.775 . . . . 0.0 111.99 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.552 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.7 mt-10 -63.59 -39.24 93.87 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.81 -176.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.08 -41.31 99.4 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.244 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.47 ' NZ ' ' NE2' ' B' ' 38' ' ' GLN . 14.8 tptp -61.26 -46.77 89.0 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.228 176.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.54 -36.15 81.97 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.082 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.493 HD23 ' N ' ' B' ' 36' ' ' LEU . 0.5 OUTLIER -68.16 -47.83 66.97 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 119.738 -0.785 . . . . 0.0 111.392 179.615 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.422 ' CD2' ' HH ' ' B' ' 74' ' ' TYR . 70.9 mt -68.38 -44.07 75.95 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.015 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.47 ' NE2' ' NZ ' ' B' ' 34' ' ' LYS . 51.8 tt0 -64.34 -42.17 96.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.45 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.0 t -80.28 -43.04 21.98 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.218 -0.593 . . . . 0.0 112.39 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.445 ' N ' ' CG2' ' B' ' 39' ' ' THR . 76.9 mm-40 -71.32 -35.71 71.33 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 119.985 -0.686 . . . . 0.0 111.659 -178.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mp -126.25 58.36 1.37 Allowed 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.291 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -55.15 -32.06 61.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.0 -67.58 1.37 Allowed Glycine 0 CA--C 1.53 0.989 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.041 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -58.49 -44.49 89.43 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.667 ' O ' ' N ' ' B' ' 47' ' ' ALA . 59.7 mt -92.63 -1.88 56.54 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.55 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 55.5 p30 -20.75 78.68 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.762 0.791 . . . . 0.0 112.454 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -63.4 -24.34 67.8 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.232 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -55.46 -34.35 64.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.321 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.506 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 75.0 mmtt -58.69 -36.9 74.96 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 91.0 m-20 -140.67 88.23 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.296 -1.32 . . . . 0.0 110.445 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.49 -39.34 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.954 0.407 . . . . 0.0 110.606 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.7 p30 -61.4 -30.81 70.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.659 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.651 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -59.03 -30.93 68.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.541 -178.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.84 -44.09 85.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.3 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.599 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 86.5 m-20 -60.97 -41.51 96.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.486 0.66 . . . . 0.0 109.783 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -60.22 -38.97 85.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.978 -0.689 . . . . 0.0 109.729 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.28 -45.07 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.316 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.482 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.5 ppp? -65.84 -38.36 88.68 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.111 -0.636 . . . . 0.0 111.933 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' B' ' 58' ' ' MET . 92.5 mttt -59.26 -38.22 79.55 Favored 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 119.473 -0.891 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.35 -38.22 90.27 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.35 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.432 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 81.5 mt -67.48 -36.68 81.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.689 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.507 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 99.3 m-20 -98.01 33.93 2.03 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.924 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -52.17 -30.44 26.93 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 121.544 0.688 . . . . 0.0 109.321 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.533 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 12.6 m120 -53.04 -34.26 55.64 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.71 -177.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.28 3.88 63.04 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 108.725 -1.75 . . . . 0.0 108.725 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.691 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.6 p30 -61.54 -35.8 78.77 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.848 -0.676 . . . . 0.0 112.064 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.691 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 93.57 -10.87 72.3 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.507 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 83.8 tt0 -119.44 149.53 41.71 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 56.3 t -97.07 128.65 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 119.734 -0.787 . . . . 0.0 110.657 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -87.98 130.75 34.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.143 -1.389 . . . . 0.0 110.448 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -50.51 -42.58 55.09 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.875 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.76 -42.19 88.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.671 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.533 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.4 mt-10 -67.4 -39.74 85.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.125 0.488 . . . . 0.0 111.561 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.561 ' CE2' ' CE2' ' B' ' 15' ' ' PHE . 23.0 t80 -64.62 -44.17 91.41 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.938 -178.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.4 m -67.49 -34.64 69.75 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.485 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.6 -44.46 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.208 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 28.7 tp -64.87 -39.13 93.07 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.009 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.0 t -58.51 -39.48 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.825 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.405 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -57.19 -39.23 74.96 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.548 -178.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.43 -41.8 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.24 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.81 -38.74 92.22 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.567 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 0.6 OUTLIER -60.46 -40.41 91.08 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 119.374 -0.93 . . . . 0.0 109.75 -179.629 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.6 t -61.94 -42.09 93.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.67 -31.78 73.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.836 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -55.56 -40.5 72.03 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.134 -179.377 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.543 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 19.1 t-20 -58.68 -38.3 77.92 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.34 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 . . . . . 0 CA--C 1.52 -0.186 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.864 -178.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 120.818 0.342 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -61.56 -35.24 77.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.432 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 30.6 tp -58.0 -40.88 81.83 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.866 -178.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.58 -40.99 93.74 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.219 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.8 m -65.84 -38.71 89.62 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.347 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.3 89.27 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.833 -177.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 57.4 mtm -58.25 -40.81 82.76 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 118.466 -1.293 . . . . 0.0 109.077 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 97.8 mt-10 -67.36 -36.66 81.84 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.458 178.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.7 m -61.7 -43.4 98.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.526 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.6 -47.65 82.88 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.466 0.651 . . . . 0.0 111.533 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.438 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 78.0 mt -66.1 -42.27 91.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.609 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 88.5 m-20 -61.23 -39.12 89.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.259 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 15' ' ' PHE . 18.6 m -78.48 -48.57 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 119.459 -0.896 . . . . 0.0 112.125 -179.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.424 ' O ' ' OG ' ' A' ' 19' ' ' SER . 65.6 m-85 -66.71 -41.1 88.51 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 119.223 -0.991 . . . . 0.0 111.444 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 85.0 t60 -60.96 -43.85 98.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.149 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.94 -51.37 56.02 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.57 -0.452 . . . . 0.0 112.176 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.42 ' CG ' ' CD2' ' A' ' 36' ' ' LEU . 88.7 m-70 -61.4 -42.74 99.2 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 20.0 m -58.68 -35.41 72.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.261 -178.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.05 -29.1 59.08 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.928 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -56.63 -40.64 75.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.478 0.639 . . . . 0.0 111.655 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.525 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -143.89 139.54 29.27 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.705 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.21 -166.15 54.75 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -72.6 143.9 48.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.819 0.342 . . . . 0.0 110.259 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -59.79 -39.08 83.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 122.418 1.104 . . . . 0.0 109.197 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 69.1 m-85 -69.76 -24.77 63.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 113.056 -1.884 . . . . 0.0 112.853 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.507 ' CB ' ' OE2' ' A' ' 68' ' ' GLU . 17.2 mmtm -112.42 143.06 44.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.429 0.633 . . . . 0.0 112.677 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.6 mt -98.67 133.23 43.3 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.55 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -89.18 155.82 19.18 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.589 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 64.4 tttt -53.6 -39.87 65.24 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 118.779 -1.168 . . . . 0.0 108.439 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.67 -51.98 65.09 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.525 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.4 mt-10 -63.14 -40.14 96.72 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.674 -176.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.51 -44.58 96.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.524 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.711 ' HZ2' ' NE2' ' A' ' 38' ' ' GLN . 17.5 tptp -60.54 -44.84 95.67 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.393 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -69.25 -38.58 78.53 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.591 -1.186 . . . . 0.0 112.092 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.42 ' CD2' ' CG ' ' A' ' 18' ' ' HIS . 44.6 mt -68.13 -47.8 67.13 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.034 -0.667 . . . . 0.0 112.26 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.1 mt -69.54 -42.05 75.13 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.499 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.711 ' NE2' ' HZ2' ' A' ' 34' ' ' LYS . 51.7 tt0 -64.83 -41.88 95.38 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.984 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.9 t -83.3 -47.07 11.89 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.73 -0.788 . . . . 0.0 112.32 -178.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.479 ' N ' ' CG2' ' A' ' 39' ' ' THR . 95.3 mt-10 -72.92 -33.91 66.27 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.18 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mp -122.72 51.52 1.4 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.454 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -58.07 -25.43 61.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.28 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.55 -69.35 1.3 Allowed Glycine 0 CA--C 1.529 0.953 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.666 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -58.64 -43.61 89.81 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.714 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -91.35 -3.43 56.78 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.531 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 55.1 p30 -20.42 72.12 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -177.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.714 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -66.56 -22.27 66.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.075 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -55.25 -35.71 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.862 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.491 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 12.1 mtpp -59.22 -35.25 73.31 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.053 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.0 m-20 -138.67 99.95 3.95 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.428 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.33 -40.8 87.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.926 0.393 . . . . 0.0 110.748 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.8 p30 -62.4 -30.91 71.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.191 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.653 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -60.17 -27.35 67.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.947 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.3 t -56.76 -43.56 79.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.987 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.589 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 90.1 m-20 -59.29 -41.04 88.04 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 119.55 -0.86 . . . . 0.0 108.86 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.54 -38.31 89.53 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.719 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.52 -47.41 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.184 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.679 ' SD ' ' ND2' ' A' ' 64' ' ' ASN . 2.6 ppp? -67.03 -39.26 86.95 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 119.408 -0.917 . . . . 0.0 110.445 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 62' ' ' ASP . 44.1 tttm -59.69 -43.05 94.19 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.914 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.11 -36.95 84.52 Favored 'General case' 0 C--N 1.334 -0.078 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.958 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 73.0 mt -65.86 -56.12 13.48 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.404 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.47 ' OD2' ' OE1' ' A' ' 73' ' ' GLU . 21.0 m-20 -116.25 145.96 42.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.316 177.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -68.53 -29.27 67.81 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.679 ' ND2' ' SD ' ' A' ' 58' ' ' MET . 86.7 m-20 56.27 41.92 28.58 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 112.848 -1.978 . . . . 0.0 115.589 177.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.54 -32.89 61.63 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 104.631 -3.388 . . . . 0.0 104.631 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.741 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 44.9 p30 -64.28 -35.88 82.3 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 112.469 -1.865 . . . . 0.0 112.081 178.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.741 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 92.46 -10.35 74.32 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 -178.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.507 ' OE2' ' CB ' ' A' ' 27' ' ' LYS . 83.9 tt0 -115.7 148.36 39.83 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.5 t -97.42 128.38 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 118.863 -1.135 . . . . 0.0 110.845 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.468 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 60.8 t0 -91.73 129.58 37.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.27 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.456 ' CE2' ' CG1' ' A' ' 75' ' ' VAL . 79.2 t80 -52.52 -41.74 63.74 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.695 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -57.38 -41.97 81.25 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.513 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.47 ' OE1' ' OD2' ' A' ' 62' ' ' ASP . 98.7 mt-10 -68.2 -38.7 82.23 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.135 0.493 . . . . 0.0 110.911 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -62.86 -42.17 99.65 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.456 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 33.0 m -65.83 -32.21 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.015 -178.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.76 -50.22 78.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 118.996 -1.082 . . . . 0.0 111.539 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.8 tp -73.91 -38.89 64.2 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 p -56.28 -33.01 36.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 119.611 -0.835 . . . . 0.0 110.269 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.443 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -58.09 -38.02 75.62 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.28 -38.06 78.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.127 0.489 . . . . 0.0 109.922 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.91 -39.76 95.52 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.59 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -61.06 -40.77 94.93 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 119.165 -1.014 . . . . 0.0 109.468 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.11 -41.2 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.65 74.29 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.896 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 78.2 m -53.75 -38.22 64.18 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.206 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -58.83 -36.42 74.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.205 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 . . . . . 0 CA--C 1.517 -0.309 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.446 -179.351 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.813 0.34 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -61.64 -35.2 77.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.493 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.427 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 30.4 tp -58.02 -40.83 81.83 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.857 -178.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.57 -41.03 93.78 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.209 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.9 m -65.76 -38.78 90.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.388 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.33 89.22 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.759 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 57.4 mtm -58.33 -40.84 83.18 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 118.446 -1.302 . . . . 0.0 109.016 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 97.8 mt-10 -67.29 -36.6 81.87 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.469 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.3 m -61.83 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.512 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.49 -47.76 82.54 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.519 0.676 . . . . 0.0 111.516 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.444 ' O ' ' CB ' ' B' ' 16' ' ' HIS . 78.2 mt -66.09 -42.22 90.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.627 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 88.0 m-20 -61.27 -39.11 89.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.324 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.418 HG22 ' N ' ' B' ' 15' ' ' PHE . 18.6 m -78.42 -48.59 22.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.102 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.421 ' O ' ' OG ' ' B' ' 19' ' ' SER . 65.6 m-85 -66.72 -41.2 88.32 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 119.255 -0.978 . . . . 0.0 111.407 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.444 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 85.1 t60 -60.84 -43.97 97.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.124 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.91 -51.31 56.83 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.422 ' CG ' ' CD2' ' B' ' 36' ' ' LEU . 88.6 m-70 -61.39 -42.87 99.41 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 19.9 m -58.58 -35.37 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.076 0.465 . . . . 0.0 111.334 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.1 -29.16 59.29 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.861 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -56.63 -40.64 75.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.488 0.644 . . . . 0.0 111.625 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.51 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -143.81 139.57 29.4 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.671 178.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.32 -166.25 54.71 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.556 -1.018 . . . . 0.0 110.556 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.64 143.89 47.99 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 120.843 0.354 . . . . 0.0 110.313 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -59.78 -39.07 83.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 122.393 1.092 . . . . 0.0 109.225 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.509 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 68.1 m-85 -69.65 -24.9 63.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 113.025 -1.898 . . . . 0.0 112.897 -177.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.505 ' CB ' ' OE2' ' B' ' 68' ' ' GLU . 17.2 mmtm -112.37 142.96 44.25 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.5 mt -98.65 133.3 43.17 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.544 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.8 t -89.22 155.82 19.16 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.582 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 64.5 tttt -53.6 -39.93 65.28 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 118.757 -1.177 . . . . 0.0 108.374 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.62 -51.93 65.36 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.51 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.6 mt-10 -63.23 -40.15 96.64 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.622 -176.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.4 -44.73 95.74 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.537 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.72 ' HZ2' ' NE2' ' B' ' 38' ' ' GLN . 17.6 tptp -60.45 -44.78 95.48 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.498 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -69.21 -38.6 78.66 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 114.606 -1.179 . . . . 0.0 112.124 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.422 ' CD2' ' CG ' ' B' ' 18' ' ' HIS . 44.8 mt -68.21 -47.76 67.02 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.227 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 64.0 mt -69.59 -41.98 75.04 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.552 -0.859 . . . . 0.0 110.519 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.72 ' NE2' ' HZ2' ' B' ' 34' ' ' LYS . 51.7 tt0 -64.82 -41.95 95.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.959 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.489 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.9 t -83.29 -46.92 12.07 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.654 -0.818 . . . . 0.0 112.349 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.489 ' N ' ' CG2' ' B' ' 39' ' ' THR . 95.3 mt-10 -73.01 -33.88 66.03 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.175 -178.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mp -122.68 51.42 1.41 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.479 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -57.97 -25.41 60.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.297 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.61 -69.34 1.3 Allowed Glycine 0 CA--C 1.53 1.016 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.655 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -58.61 -43.64 89.69 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.719 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.5 OUTLIER -91.34 -3.4 56.82 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.532 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 55.1 p30 -20.45 72.15 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -177.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.719 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -66.61 -22.28 66.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.077 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -55.3 -35.72 65.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.795 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.488 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 12.1 mtpp -59.2 -35.25 73.25 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.068 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 90.8 m-20 -138.69 99.92 3.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.483 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 78.4 t -61.36 -40.79 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 110.753 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.8 p30 -62.26 -31.04 71.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.257 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.645 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -60.16 -27.32 67.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.978 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -56.61 -43.56 79.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.03 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.582 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 90.1 m-20 -59.3 -41.04 88.04 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 119.521 -0.872 . . . . 0.0 108.895 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.55 -38.33 89.64 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.589 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.9 t -63.57 -47.38 91.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.11 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.685 ' SD ' ' ND2' ' B' ' 64' ' ' ASN . 2.6 ppp? -67.11 -39.26 86.64 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 119.364 -0.935 . . . . 0.0 110.439 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' B' ' 62' ' ' ASP . 44.1 tttm -59.59 -43.03 93.83 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.978 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.14 -37.03 84.7 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.991 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -65.79 -56.06 13.95 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.507 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.462 ' OD2' ' OE1' ' B' ' 73' ' ' GLU . 20.9 m-20 -116.26 145.89 42.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.273 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -68.44 -29.29 67.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 105.58 -2.008 . . . . 0.0 105.58 174.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.685 ' ND2' ' SD ' ' B' ' 58' ' ' MET . 86.6 m-20 56.19 41.92 28.76 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 112.854 -1.975 . . . . 0.0 115.607 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.54 -32.83 61.56 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 104.68 -3.368 . . . . 0.0 104.68 174.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.744 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 44.9 p30 -64.36 -35.78 82.0 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 112.467 -1.867 . . . . 0.0 112.091 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.744 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 92.34 -10.28 74.55 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.505 ' OE2' ' CB ' ' B' ' 27' ' ' LYS . 84.0 tt0 -115.61 148.39 39.68 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 42.6 t -97.48 128.38 48.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 118.849 -1.141 . . . . 0.0 110.834 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.448 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 60.8 t0 -91.68 129.63 37.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.065 -1.425 . . . . 0.0 111.226 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.452 ' CE2' ' CG1' ' B' ' 75' ' ' VAL . 79.3 t80 -52.53 -41.74 63.76 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.668 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -57.51 -41.83 81.59 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.495 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.462 ' OE1' ' OD2' ' B' ' 62' ' ' ASP . 98.7 mt-10 -68.21 -38.79 82.3 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.18 0.514 . . . . 0.0 110.921 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -62.74 -42.29 99.59 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.452 ' CG1' ' CE2' ' B' ' 71' ' ' PHE . 32.9 m -65.7 -32.34 57.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.028 -0.669 . . . . 0.0 112.063 -178.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.65 -50.22 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 119.0 -1.08 . . . . 0.0 111.588 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.7 tp -73.87 -38.95 64.28 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 p -56.28 -33.07 36.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.233 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.448 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -58.0 -38.01 75.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.32 -38.01 78.02 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.422 -0.511 . . . . 0.0 109.95 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.95 -39.67 95.33 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.658 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 0.6 OUTLIER -61.14 -40.66 94.66 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.492 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.19 -41.17 90.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.13 -32.67 74.33 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.83 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 78.2 m -53.71 -38.26 64.11 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.217 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -58.92 -36.22 74.38 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.26 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 . . . . . 0 CA--C 1.517 -0.31 0 C-N-CA 119.959 -0.696 . . . . 0.0 109.431 -179.421 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.812 0.339 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.37 -35.22 78.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.448 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 36.3 tp -59.2 -39.82 83.8 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.438 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.72 -40.92 89.62 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 119.35 -0.94 . . . . 0.0 108.772 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 m -66.14 -38.0 87.05 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.206 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.37 80.97 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.922 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.9 mtm -58.12 -42.48 85.86 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 119.132 -1.027 . . . . 0.0 108.942 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.09 -38.44 88.25 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 113.528 -1.669 . . . . 0.0 109.938 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.2 m -61.74 -43.09 99.52 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.05 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.41 -43.64 96.51 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.375 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.33 -42.77 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.501 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -59.83 -39.03 83.74 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.286 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.504 ' CG1' ' OE2' ' A' ' 40' ' ' GLU . 81.1 t -65.33 -43.52 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.505 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 73.6 t80 -60.04 -52.89 63.44 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.964 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.64 -40.91 98.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.771 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.24 98.95 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -98.84 -49.89 4.4 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.497 ' OG ' ' CD2' ' A' ' 28' ' ' LEU . 17.1 m -59.52 -37.3 77.99 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.77 -177.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.04 -36.42 92.27 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.467 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -59.58 -36.52 76.4 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -177.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.54 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.3 mt-10 -120.82 149.81 42.0 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.718 0.771 . . . . 0.0 112.906 -177.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.82 -148.45 49.81 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 114.607 -1.179 . . . . 0.0 112.363 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -82.92 129.66 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.44 -0.88 . . . . 0.0 109.895 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.556 ' C ' ' H ' ' A' ' 27' ' ' LYS . 90.9 mttt -69.17 165.17 20.99 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 60.06 0.46 0.28 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.609 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.596 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 33.0 tptt -126.94 135.63 51.16 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.529 ' O ' ' O ' ' A' ' 69' ' ' VAL . 0.7 OUTLIER -101.94 128.13 48.49 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.779 -177.063 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -104.0 160.03 15.17 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -55.31 -40.2 70.83 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.428 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -59.39 -48.73 80.51 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.428 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.54 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 98.5 mt-10 -62.45 -38.44 89.79 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.747 -177.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.27 -42.94 99.18 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.207 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.599 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -61.84 -47.05 86.8 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.86 178.178 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -69.19 -38.3 78.57 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 120.298 -0.561 . . . . 0.0 112.061 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.42 -49.72 70.42 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 119.631 -0.828 . . . . 0.0 112.088 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.7 mt -69.77 -42.91 73.21 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.517 -0.873 . . . . 0.0 111.235 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.599 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.8 tt0 -63.88 -42.66 97.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.316 -0.856 . . . . 0.0 113.082 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.5 t -82.79 -46.27 13.3 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.853 -0.739 . . . . 0.0 112.419 -178.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.504 ' OE2' ' CG1' ' A' ' 14' ' ' VAL . 95.7 mt-10 -72.94 -35.52 67.01 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.658 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.2 mt -123.72 53.85 1.34 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.792 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -55.26 -32.36 62.28 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.593 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.53 -67.42 1.53 Allowed Glycine 0 CA--C 1.532 1.144 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.496 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -58.24 -43.51 87.84 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.685 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -90.43 -3.78 57.45 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.533 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 53.8 p30 -20.9 77.24 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.78 0.8 . . . . 0.0 112.564 -177.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.685 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -63.87 -24.76 67.87 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.28 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.52 -34.76 64.95 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.397 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.508 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 72.1 mmtt -59.01 -37.66 77.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.3 m-20 -142.32 89.13 2.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.255 -1.339 . . . . 0.0 110.502 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.45 -39.17 81.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.97 0.414 . . . . 0.0 110.547 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.4 p30 -61.8 -29.56 70.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.558 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.645 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -58.09 -30.52 66.31 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -57.08 -45.63 84.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.536 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -63.31 -39.31 94.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.431 0.634 . . . . 0.0 110.315 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -60.21 -42.02 94.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.483 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 m -76.48 -37.17 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 C-N-CA 119.426 -0.91 . . . . 0.0 111.577 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.492 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -62.71 -34.94 78.19 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.512 179.046 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 58' ' ' MET . 81.3 tttt -58.21 -41.12 83.35 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 120.161 -0.615 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.95 -37.09 86.49 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.473 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.506 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 81.9 mt -66.43 -36.13 82.04 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.491 0.663 . . . . 0.0 110.501 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -88.94 36.2 0.81 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.737 -1.119 . . . . 0.0 113.383 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -50.33 -30.47 12.15 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.468 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.532 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 14.0 m120 -52.39 -30.74 30.62 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.131 -178.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.24 4.31 56.42 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 108.517 -1.833 . . . . 0.0 108.517 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.462 ' C ' ' OD1' ' A' ' 66' ' ' ASP . 50.8 p30 -83.52 171.91 12.91 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-O 121.83 0.824 . . . . 0.0 109.611 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -99.69 -7.41 53.55 Favored Glycine 0 C--N 1.3 -1.425 0 CA-C-N 114.284 -1.326 . . . . 0.0 111.159 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.419 ' OE2' ' CG ' ' A' ' 27' ' ' LYS . 77.4 tt0 -116.22 150.64 37.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.8 0.333 . . . . 0.0 110.324 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.529 ' O ' ' O ' ' A' ' 28' ' ' LEU . 58.8 t -106.71 133.28 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.596 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 87.3 m-20 -85.43 145.75 27.3 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.341 178.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.609 ' CZ ' ' CG1' ' A' ' 75' ' ' VAL . 71.0 t80 -55.1 -39.27 69.14 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.357 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -55.41 -41.0 72.13 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 119.671 -0.811 . . . . 0.0 109.021 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.532 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 97.5 mt-10 -68.04 -38.81 82.95 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.996 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -62.76 -44.29 96.58 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.609 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 34.5 m -68.24 -36.07 73.71 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.7 t -63.82 -45.98 95.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 119.213 -0.995 . . . . 0.0 110.469 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.3 tp -68.51 -41.57 79.79 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 p -59.15 -33.57 50.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 C-N-CA 119.899 -0.72 . . . . 0.0 111.453 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.426 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -58.91 -37.57 76.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.59 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.3 -42.81 74.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.3 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.402 HD11 ' N ' ' A' ' 81' ' ' LEU . 7.0 mp -65.31 -38.38 90.01 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.1 t -57.84 -40.73 80.77 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.556 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.43 -42.14 92.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.04 0.448 . . . . 0.0 109.995 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.66 76.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.966 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.7 m -57.1 -37.03 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -56.83 -38.72 73.02 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.634 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.522 -179.8 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.743 0.306 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.26 -35.3 78.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.444 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 35.9 tp -59.11 -39.78 83.35 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.507 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.86 -40.92 90.23 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.744 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.7 m -66.07 -37.95 87.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.246 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.85 -47.33 81.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.982 -177.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 51.1 mtm -58.19 -42.49 86.23 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.916 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -66.06 -38.44 88.32 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 113.586 -1.643 . . . . 0.0 109.916 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.4 m -61.76 -43.07 99.57 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.025 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.49 -43.59 96.85 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.425 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.1 mt -64.27 -42.84 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.552 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -59.72 -39.09 83.51 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.273 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.504 ' CG1' ' OE2' ' B' ' 40' ' ' GLU . 82.0 t -65.36 -43.49 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.504 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 73.3 t80 -59.93 -52.94 63.25 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.015 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.61 -41.0 98.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.711 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.3 98.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -98.82 -49.91 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.499 ' OG ' ' CD2' ' B' ' 28' ' ' LEU . 17.1 m -59.52 -37.23 77.81 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.727 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.16 -36.38 92.28 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.416 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -59.51 -36.58 76.35 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.535 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.3 mt-10 -120.82 149.83 41.97 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.781 0.801 . . . . 0.0 112.892 -177.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.87 -148.5 49.91 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 114.618 -1.173 . . . . 0.0 112.368 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -82.82 129.55 35.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.489 -0.855 . . . . 0.0 109.894 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.548 ' C ' ' H ' ' B' ' 27' ' ' LYS . 90.9 mttt -69.1 165.14 20.94 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 60.08 0.5 0.28 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.584 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.593 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 33.1 tptt -126.96 135.7 51.25 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.531 ' O ' ' O ' ' B' ' 69' ' ' VAL . 0.7 OUTLIER -101.96 128.07 48.54 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.995 0.426 . . . . 0.0 110.711 -177.014 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 79.1 p -103.98 160.09 15.11 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.416 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -55.42 -40.15 71.11 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.405 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -59.33 -48.72 80.57 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.512 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.535 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 98.5 mt-10 -62.49 -38.39 89.72 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.773 -177.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.29 -42.95 99.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.157 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.601 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.9 OUTLIER -61.74 -47.12 86.66 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.919 178.133 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -69.1 -38.38 78.92 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.239 -0.584 . . . . 0.0 112.068 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.36 -49.67 70.72 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 119.59 -0.844 . . . . 0.0 112.167 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 66.4 mt -69.8 -42.89 73.14 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.466 -0.894 . . . . 0.0 111.225 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.601 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.8 tt0 -63.83 -42.73 97.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.052 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.5 t -82.71 -46.42 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.988 -0.685 . . . . 0.0 112.43 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.504 ' OE2' ' CG1' ' B' ' 14' ' ' VAL . 95.6 mt-10 -72.89 -35.57 67.15 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 119.714 -0.794 . . . . 0.0 111.671 -178.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 77.2 mt -123.68 53.78 1.34 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.823 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -55.17 -32.39 62.11 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.603 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.57 -67.46 1.52 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.496 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -58.26 -43.39 87.86 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.675 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.3 OUTLIER -90.48 -3.79 57.4 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.543 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 53.9 p30 -20.99 77.19 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.818 0.818 . . . . 0.0 112.598 -177.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.675 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -63.86 -24.63 67.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.281 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.57 -34.81 65.1 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.403 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.517 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 72.1 mmtt -58.96 -37.67 77.3 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.517 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.2 m-20 -142.33 89.08 2.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.206 -1.361 . . . . 0.0 110.522 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.44 -39.24 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.992 0.425 . . . . 0.0 110.532 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.646 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.3 p30 -61.66 -29.61 70.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.624 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.646 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -58.14 -30.42 66.33 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.5 t -57.06 -45.63 84.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 119.549 -0.86 . . . . 0.0 109.6 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -63.31 -39.35 94.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.38 0.609 . . . . 0.0 110.261 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -60.24 -41.95 94.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.545 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 m -76.43 -37.21 30.33 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.661 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.484 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.0 OUTLIER -62.65 -34.97 78.15 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.556 178.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' B' ' 58' ' ' MET . 81.3 tttt -58.27 -40.95 83.21 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.274 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.03 -37.15 86.67 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.443 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.517 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 81.9 mt -66.4 -36.14 82.09 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.519 0.676 . . . . 0.0 110.5 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -88.93 36.22 0.81 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.722 -1.126 . . . . 0.0 113.352 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.38 -30.52 12.48 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 176.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.553 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 13.9 m120 -52.29 -30.84 30.0 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.154 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.21 4.45 56.42 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 108.569 -1.812 . . . . 0.0 108.569 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' B' ' 66' ' ' ASP . 50.8 p30 -83.59 171.89 12.87 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-O 121.74 0.781 . . . . 0.0 109.592 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -99.71 -7.45 53.41 Favored Glycine 0 C--N 1.299 -1.483 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.164 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.422 ' OE2' ' CG ' ' B' ' 27' ' ' LYS . 77.4 tt0 -116.21 150.71 37.06 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.799 0.333 . . . . 0.0 110.354 -178.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.531 ' O ' ' O ' ' B' ' 28' ' ' LEU . 58.9 t -106.68 133.25 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.593 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 87.2 m-20 -85.39 145.77 27.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.382 178.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' B' ' 75' ' ' VAL . 70.8 t80 -55.2 -39.18 69.32 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.387 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -55.46 -41.0 72.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 119.679 -0.808 . . . . 0.0 108.995 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.553 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 97.5 mt-10 -68.01 -38.73 82.94 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.068 178.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.86 -44.21 96.73 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' B' ' 71' ' ' PHE . 34.4 m -68.2 -36.15 74.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.73 -46.17 95.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 119.279 -0.968 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 28.6 tp -68.57 -41.46 79.69 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 p -59.08 -33.67 51.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.458 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.429 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -58.82 -37.6 76.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.652 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.35 -42.7 74.91 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.376 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.401 HD11 ' N ' ' B' ' 81' ' ' LEU . 7.0 mp -65.4 -38.22 89.31 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.1 t -57.95 -40.72 81.23 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.53 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.34 -42.21 92.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.045 0.45 . . . . 0.0 110.008 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.6 76.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.014 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 71.4 m -57.14 -37.01 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -56.94 -38.61 73.15 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.645 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 CA--C 1.517 -0.326 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.534 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.517 ' HG ' ' CD ' ' B' ' 40' ' ' GLU . 54.4 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.733 0.301 . . . . 0.0 110.542 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -62.13 -34.48 76.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.746 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.463 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 34.9 tp -57.69 -41.05 80.84 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.282 -177.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.78 -41.02 94.73 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.41 -0.916 . . . . 0.0 108.969 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -65.61 -37.88 87.88 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.029 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.04 -46.52 87.14 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.294 -178.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.7 mtm -59.37 -41.21 88.77 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 118.798 -1.161 . . . . 0.0 109.557 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 97.8 mt-10 -67.4 -38.34 84.51 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.358 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.2 m -63.49 -45.49 90.48 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 120.161 -0.615 . . . . 0.0 111.411 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.41 ' O ' ' CD2' ' A' ' 15' ' ' PHE . 84.7 mt -62.47 -49.08 76.81 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.827 -0.749 . . . . 0.0 111.377 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.7 mt -62.16 -43.16 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.718 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 89.7 m-20 -61.19 -39.5 90.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.014 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.8 t -67.72 -49.44 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.774 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CD2' ' O ' ' A' ' 11' ' ' LEU . 65.7 m-85 -66.56 -44.54 82.01 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.756 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.85 -40.35 95.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.075 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.53 -52.61 62.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.014 -177.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -66.18 -40.69 90.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.936 0.398 . . . . 0.0 111.688 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' GLU . 12.5 t -58.13 -37.73 75.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.17 -178.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.6 -32.04 72.54 Favored Glycine 0 CA--C 1.522 0.509 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.522 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -57.31 -38.22 73.67 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.938 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.511 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -136.41 145.73 45.61 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.202 0.525 . . . . 0.0 111.98 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.58 -145.51 45.07 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 115.462 -0.79 . . . . 0.0 113.043 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -83.08 133.39 35.07 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 114.52 -0.84 . . . . 0.0 111.059 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.13 -40.01 73.12 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.746 0.784 . . . . 0.0 110.517 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.51 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 62.2 m-85 -71.84 -22.49 61.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.252 -1.34 . . . . 0.0 113.897 -177.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -112.62 142.56 45.07 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.3 mt -102.89 135.75 43.99 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.07 -1.423 . . . . 0.0 107.755 174.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.8 t -100.54 159.86 14.82 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.487 ' CE ' ' OD1' ' A' ' 55' ' ' ASP . 63.7 tttm -50.11 -40.02 44.59 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 118.726 -1.19 . . . . 0.0 109.094 -177.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -62.03 -50.31 72.55 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.046 -0.662 . . . . 0.0 112.089 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.511 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.6 mt-10 -63.53 -40.74 97.82 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.684 -175.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.7 -40.41 96.72 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.596 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.596 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -60.28 -45.32 93.75 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.192 177.785 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' ' CG2' ' A' ' 39' ' ' THR . 78.1 mm-40 -68.31 -38.62 81.77 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 119.59 -0.844 . . . . 0.0 112.134 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.28 -51.47 67.57 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 119.666 -0.814 . . . . 0.0 111.803 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' SER . 61.2 mt -70.44 -43.15 70.49 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 119.293 -0.963 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.596 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.8 tt0 -57.82 -41.24 81.8 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.99 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 13.5 t -81.9 -32.6 30.88 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 119.192 -1.003 . . . . 0.0 111.792 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.509 ' CD ' ' HG ' ' B' ' 2' ' ' SER . 96.3 mt-10 -109.89 -45.03 3.69 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 117.852 2.538 . . . . 0.0 117.852 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.402 HD22 ' O ' ' A' ' 40' ' ' GLU . 52.5 mt -131.9 0.66 3.9 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -178.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.661 ' O ' ' N ' ' A' ' 46' ' ' ASP . 22.8 t -53.51 -43.1 68.03 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 117.425 -1.71 . . . . 0.0 110.742 -174.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.55 -37.97 68.62 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 119.126 -1.512 . . . . 0.0 110.579 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -56.37 -39.6 73.2 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.8 mt -91.74 -72.72 0.57 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.479 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.698 ' O ' ' N ' ' A' ' 48' ' ' GLN . 84.6 m-20 -109.37 -112.6 0.31 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 31.15 -59.63 0.0 OUTLIER 'General case' 0 C--N 1.354 0.764 0 C-N-CA 126.141 1.777 . . . . 0.0 113.944 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.698 ' N ' ' O ' ' A' ' 46' ' ' ASP . 94.8 mt-30 -57.02 -36.1 70.05 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.332 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -90.25 -76.91 0.42 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.096 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -98.85 122.24 41.84 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.264 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.01 -38.63 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.68 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 48.9 p30 -87.03 11.03 14.67 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -177.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.59 -27.83 65.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.4 t -56.17 -45.51 80.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.787 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.487 ' OD1' ' CE ' ' A' ' 30' ' ' LYS . 87.2 m-20 -63.37 -40.72 98.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.357 0.599 . . . . 0.0 110.493 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -60.98 -41.78 97.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.858 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.8 m -75.98 -38.71 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 C-N-CA 119.315 -0.954 . . . . 0.0 111.928 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.538 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 ppp? -63.07 -36.86 84.98 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.567 -0.853 . . . . 0.0 110.271 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 58' ' ' MET . 71.6 tttt -58.58 -40.97 84.65 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.508 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -65.04 -38.01 89.46 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.863 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.502 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 72.8 mt -66.99 -37.48 84.29 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.144 0.497 . . . . 0.0 110.495 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.85 32.94 1.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.026 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.65 -34.19 57.77 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.444 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.529 HD22 ' CG ' ' A' ' 66' ' ' ASP . 36.7 p-10 -58.71 -28.5 65.87 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.8 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.72 7.0 63.37 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.177 178.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.674 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.2 p30 -60.87 -35.15 75.85 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.734 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.674 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 93.23 -9.23 75.01 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -114.55 144.2 43.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.38 126.66 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.968 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -92.46 132.8 36.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.933 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.504 ' CE2' ' CG2' ' A' ' 75' ' ' VAL . 86.1 t80 -50.38 -38.43 42.5 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.731 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.69 -40.5 88.08 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.561 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.502 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 99.7 mt-10 -67.29 -39.7 86.03 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.352 0.596 . . . . 0.0 110.287 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -63.94 -43.01 97.12 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.583 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.504 ' CG2' ' CE2' ' A' ' 71' ' ' PHE . 70.9 t -60.3 -42.34 90.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.031 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.0 -43.51 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.344 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.34 -39.76 95.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.278 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.35 -38.75 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.301 -0.559 . . . . 0.0 111.805 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.62 85.4 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.53 -45.94 60.95 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.068 -0.653 . . . . 0.0 112.225 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -67.32 -37.57 83.55 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -178.749 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.558 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.4 t -56.47 -41.47 76.63 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.97 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.81 -41.21 89.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.06 -31.23 72.34 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.412 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -54.82 -35.7 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.06 -179.633 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.444 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 18.7 t-20 -56.28 -36.93 69.17 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.235 0.54 . . . . 0.0 110.293 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.838 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.509 ' HG ' ' CD ' ' A' ' 40' ' ' GLU . 54.5 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.772 0.32 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -62.26 -34.29 76.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.756 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.469 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 35.1 tp -57.92 -40.88 81.47 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.217 -177.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -60.94 -40.81 94.69 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.033 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.6 m -65.57 -38.1 88.56 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.959 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.94 -46.58 87.08 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.281 -178.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.7 mtm -59.33 -41.24 88.65 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 118.764 -1.175 . . . . 0.0 109.555 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 97.8 mt-10 -67.43 -38.33 84.39 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.331 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 42.6 m -63.47 -45.49 90.54 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.173 -0.611 . . . . 0.0 111.402 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.411 ' O ' ' CD2' ' B' ' 15' ' ' PHE . 84.7 mt -62.43 -49.11 76.75 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 119.918 -0.713 . . . . 0.0 111.379 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.7 mt -62.25 -43.04 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.736 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 89.5 m-20 -61.26 -39.52 90.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.018 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.73 -49.42 69.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.776 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.411 ' CD2' ' O ' ' B' ' 11' ' ' LEU . 65.7 m-85 -66.48 -44.69 81.97 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.779 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.68 -40.43 94.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.101 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.66 -52.56 62.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.915 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -66.13 -40.72 90.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.932 0.396 . . . . 0.0 111.707 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.407 ' O ' ' O ' ' B' ' 22' ' ' GLU . 12.4 t -58.19 -37.66 75.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.166 -178.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.67 -32.05 72.89 Favored Glycine 0 CA--C 1.521 0.454 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.483 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -57.31 -38.22 73.68 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.866 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.511 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -136.41 145.81 45.72 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.297 0.57 . . . . 0.0 111.989 179.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.48 -145.55 44.8 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-N 115.495 -0.775 . . . . 0.0 113.057 177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -83.02 133.41 35.09 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 114.604 -0.798 . . . . 0.0 111.062 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.18 -39.95 73.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.76 0.79 . . . . 0.0 110.545 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.504 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 63.1 m-85 -71.84 -22.59 61.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.214 -1.357 . . . . 0.0 113.86 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -112.67 142.62 45.06 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.9 mt -102.95 135.7 44.14 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.002 -1.453 . . . . 0.0 107.739 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 45.9 t -100.52 159.86 14.82 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.488 ' CE ' ' OD1' ' B' ' 55' ' ' ASP . 63.7 tttm -50.09 -40.04 44.42 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 118.764 -1.174 . . . . 0.0 109.113 -177.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -62.0 -50.32 72.51 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.969 -0.693 . . . . 0.0 112.105 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.511 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.7 mt-10 -63.5 -40.77 97.95 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.652 -175.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.67 -40.44 96.82 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.636 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.593 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.3 OUTLIER -60.28 -45.31 93.79 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.245 177.77 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.404 ' O ' ' CG2' ' B' ' 39' ' ' THR . 78.3 mm-40 -68.24 -38.58 81.96 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 119.643 -0.823 . . . . 0.0 112.159 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.32 -51.65 66.83 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.763 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' B' ' 42' ' ' SER . 61.2 mt -70.24 -43.18 71.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 119.307 -0.957 . . . . 0.0 111.137 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.593 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.8 tt0 -57.8 -41.21 81.69 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.983 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 13.5 t -82.03 -32.51 30.44 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.782 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.517 ' CD ' ' HG ' ' A' ' 2' ' ' SER . 96.3 mt-10 -109.92 -45.06 3.69 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 -177.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 52.2 mt -131.88 0.66 3.9 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.661 ' O ' ' N ' ' B' ' 46' ' ' ASP . 22.8 t -53.48 -43.17 67.99 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 117.405 -1.718 . . . . 0.0 110.749 -174.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.48 -37.99 69.28 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 119.125 -1.512 . . . . 0.0 110.664 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -56.29 -39.62 72.99 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 35.8 mt -91.74 -72.7 0.57 Allowed 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.494 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.71 ' O ' ' N ' ' B' ' 48' ' ' GLN . 84.5 m-20 -109.39 -112.55 0.31 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . 31.08 -59.6 0.0 OUTLIER 'General case' 0 C--N 1.354 0.783 0 CA-C-N 113.281 -1.781 . . . . 0.0 114.015 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.71 ' N ' ' O ' ' B' ' 46' ' ' ASP . 94.8 mt-30 -57.03 -35.96 69.91 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.62 -0.832 . . . . 0.0 110.395 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -90.36 -76.96 0.42 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.021 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -98.8 122.23 41.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.283 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.81 -38.89 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.725 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' B' ' 52' ' ' ASP . 49.1 p30 -86.99 11.2 14.17 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -177.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.76 -27.71 65.23 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.8 t -56.32 -45.34 81.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.739 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.488 ' OD1' ' CE ' ' B' ' 30' ' ' LYS . 87.2 m-20 -63.4 -40.77 98.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.392 0.615 . . . . 0.0 110.471 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -60.99 -41.78 97.12 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.865 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 23.0 m -76.03 -38.64 35.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 C-N-CA 119.291 -0.963 . . . . 0.0 111.863 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.533 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -63.03 -36.94 85.23 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.241 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' B' ' 58' ' ' MET . 71.5 tttt -58.56 -40.93 84.46 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.522 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.19 -37.88 88.72 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.871 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.51 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 73.4 mt -67.0 -37.51 84.32 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.205 0.526 . . . . 0.0 110.492 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.88 32.89 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.052 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.54 -34.27 57.62 Favored 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.46 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.521 HD22 ' CG ' ' B' ' 66' ' ' ASP . 36.6 p-10 -58.71 -28.5 65.88 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.783 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.69 7.0 63.43 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.172 178.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.673 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.2 p30 -60.94 -35.03 75.67 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.709 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.673 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 93.25 -9.24 74.94 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -114.53 144.03 44.02 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.2 t -102.22 126.51 56.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.023 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -92.36 132.87 36.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.967 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.505 ' CE2' ' CG2' ' B' ' 75' ' ' VAL . 86.3 t80 -50.37 -38.47 42.59 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.735 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.66 -40.43 87.7 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.582 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.51 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 99.7 mt-10 -67.35 -39.71 85.77 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.385 0.612 . . . . 0.0 110.252 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -63.97 -42.98 97.1 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.609 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.505 ' CG2' ' CE2' ' B' ' 71' ' ' PHE . 71.2 t -60.32 -42.35 90.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.059 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 78.8 t -61.95 -43.54 97.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 119.874 -0.731 . . . . 0.0 110.286 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 tp -63.31 -39.77 95.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.259 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.39 -38.72 78.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.894 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.7 -39.68 85.42 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.48 -46.0 61.02 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.201 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.563 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 0.7 OUTLIER -67.26 -37.55 83.67 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.558 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.4 t -56.46 -41.55 76.71 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.95 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.79 -41.26 89.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.96 -31.3 72.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.454 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -54.83 -35.64 64.16 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.051 -179.592 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.448 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 18.8 t-20 -56.4 -36.86 69.38 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.17 0.51 . . . . 0.0 110.228 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.558 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 29.9 t . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.616 0.246 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.3 -36.39 83.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.79 -40.19 87.48 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.847 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.4 -40.43 94.34 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' A' ' 10' ' ' THR . 47.9 m -64.73 -39.32 93.44 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.386 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.46 -48.52 72.39 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.0 mtm -58.19 -40.51 81.71 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 118.697 -1.201 . . . . 0.0 109.146 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.588 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.9 mt-10 -66.77 -36.66 82.94 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.428 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 6' ' ' THR . 48.0 m -61.82 -42.88 99.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.211 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.61 -44.57 96.15 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.627 0.727 . . . . 0.0 110.558 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.92 -42.46 88.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.876 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.588 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 85.8 m-20 -60.84 -40.5 93.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.244 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.1 m -75.57 -37.16 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.878 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.608 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 2.4 t80 -63.13 -50.1 71.77 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.515 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.85 -42.24 98.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.28 -41.6 99.0 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -177.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -93.54 -28.69 15.92 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.4 p -61.95 -29.6 70.34 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.392 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.05 -27.62 62.67 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-N 115.3 -0.864 . . . . 0.0 114.227 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -57.75 -44.09 85.87 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -175.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.569 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 96.4 mt-10 -147.42 160.96 41.97 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.609 ' O ' ' O ' ' A' ' 24' ' ' ASP . . . 40.44 112.22 0.0 OUTLIER Glycine 0 CA--C 1.523 0.569 0 CA-C-N 114.758 -1.11 . . . . 0.0 113.36 177.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.609 ' O ' ' O ' ' A' ' 23' ' ' GLY . 91.5 m-20 33.13 112.24 0.0 OUTLIER 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.661 0.743 . . . . 0.0 112.511 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.62 -39.0 75.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.847 0.832 . . . . 0.0 109.791 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.59 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.1 m-30 -72.39 -24.1 61.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.067 -1.424 . . . . 0.0 112.758 -176.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 24' ' ' ASP . 52.2 mtpt -121.85 151.3 40.79 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.832 0.348 . . . . 0.0 111.565 -178.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -90.48 140.03 30.12 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.384 0.611 . . . . 0.0 111.237 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 t -93.95 154.55 17.62 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 177.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -54.23 -39.07 66.42 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 118.764 -1.175 . . . . 0.0 109.451 -177.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -60.45 -49.48 77.39 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.406 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.569 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.0 mt-10 -63.0 -39.09 93.7 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.856 -0.738 . . . . 0.0 110.425 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.46 -41.83 99.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 114.735 -1.121 . . . . 0.0 109.408 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.605 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -61.16 -46.31 91.03 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.516 177.487 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.78 -37.25 81.8 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.903 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.72 -46.53 78.6 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.941 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.8 mt -71.28 -46.24 61.31 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.411 -0.916 . . . . 0.0 111.368 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.605 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 64.4 tt0 -63.34 -42.71 98.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.748 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.449 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -81.67 -45.32 15.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.505 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.565 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 73.6 mm-40 -71.9 -35.92 69.85 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.928 -178.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.2 mt -124.66 65.94 1.09 Allowed 'General case' 0 C--O 1.24 0.576 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.309 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.1 p -58.82 -25.46 63.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.847 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.1 -70.05 1.33 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.809 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -58.83 -41.94 88.08 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -90.53 -4.13 57.13 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.862 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.52 ' C ' ' O ' ' A' ' 45' ' ' LEU . 21.6 t70 -26.68 87.54 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.422 0.63 . . . . 0.0 111.058 -178.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.588 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -66.05 -17.21 64.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.85 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -54.63 -36.06 64.12 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.526 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 88.3 mttt -59.66 -39.28 83.88 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.108 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.526 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.1 m-20 -142.83 87.84 2.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.071 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.47 -44.76 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.268 0.556 . . . . 0.0 111.331 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -60.02 -33.08 71.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.929 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.16 -27.68 62.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.044 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.29 -45.61 77.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 119.586 -0.845 . . . . 0.0 109.659 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.47 -39.05 93.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.541 0.686 . . . . 0.0 110.27 177.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.77 -41.56 91.34 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.302 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.5 m -76.35 -37.58 31.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 C-N-CA 119.381 -0.928 . . . . 0.0 111.746 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.563 ' C ' ' SD ' ' A' ' 58' ' ' MET . 0.6 OUTLIER -61.03 -37.02 81.09 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.484 -0.887 . . . . 0.0 109.706 179.061 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -57.83 -40.55 80.31 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.0 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.35 -36.2 83.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.39 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.46 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 86.5 mt -65.99 -37.41 85.87 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.589 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 53.4 t0 -77.62 90.13 3.94 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.419 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.75 -38.67 89.75 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.318 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.488 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 43.6 p-10 -90.97 0.11 57.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.54 30.72 73.13 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.481 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.589 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 51.6 p30 -87.45 6.61 33.14 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.438 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 65.4 -7.96 0.82 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.588 ' H ' ' C ' ' A' ' 66' ' ' ASP . 84.5 tt0 -109.96 143.59 39.69 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.2 t -105.79 131.66 54.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.308 0.575 . . . . 0.0 109.893 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 54.8 t0 -98.23 147.46 24.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.516 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.608 ' CE1' ' CD2' ' A' ' 15' ' ' PHE . 81.2 t80 -51.31 -38.2 51.68 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -58.7 -39.67 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.11 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.46 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -67.52 -41.48 84.34 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.336 0.589 . . . . 0.0 110.639 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -64.99 -43.96 90.89 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -179.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.506 ' CG2' ' CE2' ' A' ' 71' ' ' PHE . 77.7 t -62.03 -40.98 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.878 -178.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.64 -45.14 99.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.998 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.7 tp -67.15 -40.91 86.76 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 79' ' ' ALA . 3.1 p -57.8 -33.59 45.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 119.164 -1.015 . . . . 0.0 110.318 -178.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' N ' HG13 ' A' ' 78' ' ' VAL . . . -60.2 -40.95 91.87 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.097 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.76 -40.36 76.14 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.283 -0.567 . . . . 0.0 111.085 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.41 -39.45 94.54 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.4 t -59.97 -40.84 90.49 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.225 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.9 -41.06 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.599 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.85 76.25 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.241 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -55.7 -37.68 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.566 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.488 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 18.7 t-20 -57.26 -39.4 75.53 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.172 0.51 . . . . 0.0 110.593 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 CA--C 1.52 -0.176 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.594 -179.52 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.565 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 29.9 t . . . . . 0 CA--C 1.52 -0.194 0 CA-C-O 120.585 0.231 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.2 -36.54 84.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 34.7 tp -59.64 -40.31 87.24 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.908 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.31 -40.48 94.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' B' ' 10' ' ' THR . 46.9 m -64.62 -39.41 93.65 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.422 178.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.41 -48.47 72.7 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.1 mtm -58.24 -40.45 81.77 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 118.626 -1.23 . . . . 0.0 109.229 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.596 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.9 mt-10 -66.76 -36.74 83.13 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.425 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 6' ' ' THR . 46.6 m -61.65 -42.99 99.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.248 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.56 -44.57 96.01 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.588 0.709 . . . . 0.0 110.656 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.86 -42.45 89.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.957 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.596 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 85.9 m-20 -60.91 -40.41 93.03 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.268 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 m -75.6 -37.17 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.907 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.603 ' CD2' ' CE1' ' B' ' 71' ' ' PHE . 2.4 t80 -63.05 -50.11 71.9 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.478 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.93 -42.2 98.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.62 98.98 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -177.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -93.51 -28.68 15.93 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.8 p -61.92 -29.58 70.31 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.382 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.16 -27.48 62.74 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 115.295 -0.866 . . . . 0.0 114.245 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -57.89 -44.04 86.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -175.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.56 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 96.4 mt-10 -147.38 160.9 42.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -179.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.606 ' O ' ' O ' ' B' ' 24' ' ' ASP . . . 40.53 112.19 0.0 OUTLIER Glycine 0 CA--C 1.523 0.538 0 CA-C-N 114.775 -1.102 . . . . 0.0 113.283 177.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.606 ' O ' ' O ' ' B' ' 23' ' ' GLY . 91.1 m-20 33.15 112.15 0.0 OUTLIER 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.673 0.749 . . . . 0.0 112.567 178.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -57.49 -39.1 75.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.796 0.808 . . . . 0.0 109.81 179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.596 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.1 m-30 -72.37 -24.1 61.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.019 -1.446 . . . . 0.0 112.774 -176.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' B' ' 24' ' ' ASP . 52.4 mtpt -121.88 151.36 40.77 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.816 0.341 . . . . 0.0 111.574 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -90.49 140.09 30.06 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.448 0.642 . . . . 0.0 111.237 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.5 t -93.99 154.58 17.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -54.29 -38.96 66.5 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.476 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -60.33 -49.64 76.78 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.404 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.56 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.1 mt-10 -63.0 -39.08 93.68 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.669 0.747 . . . . 0.0 110.506 -176.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.39 -41.92 99.02 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.431 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.599 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.9 OUTLIER -61.12 -46.32 91.05 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.512 177.485 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.9 -37.16 81.39 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.771 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.7 mt -65.77 -46.45 78.71 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.995 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 67.9 mt -71.29 -46.2 61.35 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.474 -0.89 . . . . 0.0 111.402 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.599 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.3 tt0 -63.31 -42.76 99.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.761 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.0 OUTLIER -81.71 -45.25 15.95 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.422 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.558 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 73.6 mm-40 -71.98 -35.88 69.65 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 118.956 -1.098 . . . . 0.0 110.861 -178.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 74.3 mt -124.7 65.99 1.1 Allowed 'General case' 0 C--O 1.239 0.534 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.324 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -58.83 -25.4 63.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.921 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.11 -69.97 1.33 Allowed Glycine 0 CA--C 1.53 1.0 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.866 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -58.97 -41.79 88.4 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.6 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.7 OUTLIER -90.66 -4.1 57.03 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' B' ' 45' ' ' LEU . 21.8 t70 -26.76 87.68 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.506 0.67 . . . . 0.0 110.975 -178.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -66.08 -17.28 64.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.8 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -54.56 -36.16 64.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.521 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 88.3 mttt -59.64 -39.24 83.71 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.136 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.521 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.0 m-20 -142.82 87.87 2.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.155 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.6 -44.66 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.3 0.572 . . . . 0.0 111.317 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.02 -33.15 71.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.931 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.19 -27.59 62.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.404 . . . . 0.0 112.04 -178.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.28 -45.62 77.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.652 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.5 -39.03 93.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.529 0.681 . . . . 0.0 110.217 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.92 -41.41 91.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.318 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 24.8 m -76.47 -37.39 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.71 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.564 ' C ' ' SD ' ' B' ' 58' ' ' MET . 0.6 OUTLIER -61.16 -36.97 81.22 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.421 -0.912 . . . . 0.0 109.719 179.048 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -57.79 -40.63 80.32 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 119.82 -0.752 . . . . 0.0 108.999 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.34 -36.17 83.21 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.468 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.457 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 86.5 mt -65.97 -37.36 85.78 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.59 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 53.4 t0 -77.72 90.31 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.326 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.94 -38.67 89.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.212 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.489 ' OD1' ' OD1' ' B' ' 62' ' ' ASP . 43.4 p-10 -90.94 0.23 57.57 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -177.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.47 30.68 73.26 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.464 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.59 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 51.5 p30 -87.38 6.69 32.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.486 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 65.38 -7.98 0.8 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.579 ' H ' ' C ' ' B' ' 66' ' ' ASP . 84.4 tt0 -109.94 143.68 39.55 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -105.83 131.62 54.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.294 0.569 . . . . 0.0 109.843 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 54.7 t0 -98.17 147.5 24.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.492 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.603 ' CE1' ' CD2' ' B' ' 15' ' ' PHE . 81.1 t80 -51.42 -38.12 51.98 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -58.73 -39.63 81.42 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.151 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.457 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 98.8 mt-10 -67.61 -41.46 83.97 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.326 0.584 . . . . 0.0 110.582 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -64.92 -44.1 90.61 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.492 ' CG2' ' CE2' ' B' ' 71' ' ' PHE . 77.8 t -61.97 -40.92 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.869 -178.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.75 -45.16 99.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.9 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.6 tp -67.07 -40.98 87.14 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.418 HG13 ' N ' ' B' ' 79' ' ' ALA . 3.1 p -57.74 -33.76 46.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 C-N-CA 119.222 -0.991 . . . . 0.0 110.264 -178.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.423 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.01 -41.06 91.31 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.139 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.85 -40.26 75.89 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.014 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.9 mt -63.51 -39.35 94.2 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.56 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.4 t -60.03 -40.85 90.74 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 118.956 -1.098 . . . . 0.0 109.127 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.2 t -62.01 -40.94 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.86 76.32 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.264 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.56 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -55.67 -37.66 68.57 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.615 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.478 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 18.7 t-20 -57.35 -39.31 75.65 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.649 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 C--N 1.332 -0.166 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.592 -179.575 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 120.968 0.413 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.88 -35.91 79.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.62 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.452 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 37.1 tp -58.79 -40.29 83.58 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.685 -178.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.19 -40.34 89.71 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.04 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -64.96 -39.17 93.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.234 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.62 87.66 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mtm -57.85 -40.86 81.13 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 118.378 -1.329 . . . . 0.0 108.746 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.606 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 98.5 mt-10 -67.57 -35.72 79.56 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.924 178.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.5 m -62.27 -44.24 96.99 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.789 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.6 mt -59.76 -45.21 92.94 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.919 0.866 . . . . 0.0 110.301 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.68 -38.68 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.497 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.606 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 2.4 m120 -60.8 -40.88 94.34 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.3 m -74.95 -39.88 45.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 119.519 -0.872 . . . . 0.0 111.073 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.522 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -63.43 -53.46 51.87 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.461 0.648 . . . . 0.0 111.029 178.478 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -61.78 -44.48 96.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.977 -1.01 . . . . 0.0 113.401 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.31 -52.97 41.9 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 119.846 -0.741 . . . . 0.0 112.753 -177.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -69.57 -47.06 64.87 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.501 ' O ' ' O ' ' A' ' 22' ' ' GLU . 78.8 p -63.58 -28.52 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.426 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.79 -34.45 82.53 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.802 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.78 -41.39 86.57 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.176 -0.609 . . . . 0.0 110.975 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.579 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.0 mt-10 -153.09 160.38 42.91 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.509 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.01 34.44 52.54 Favored Glycine 0 CA--C 1.525 0.657 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.154 177.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 61.14 137.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.35 0.595 . . . . 0.0 111.219 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -58.82 -34.71 71.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.706 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 74.5 m-85 -100.85 9.61 42.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -176.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.593 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 41.8 tptt -124.62 137.55 54.37 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.589 ' O ' ' O ' ' A' ' 69' ' ' VAL . 8.0 tp -105.96 126.61 52.39 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.6 t -103.15 155.17 18.6 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.892 -0.505 . . . . 0.0 112.129 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -54.01 -40.43 67.0 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.128 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -58.91 -47.98 83.07 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.379 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.579 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 98.9 mt-10 -62.84 -41.57 99.39 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.578 -177.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.51 -40.9 98.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.068 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HZ3' ' CD ' ' A' ' 38' ' ' GLN . 9.0 tptp -61.48 -48.6 80.35 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.793 177.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -69.11 -38.98 79.2 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.518 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 89.5 mt -66.07 -47.12 75.31 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 119.701 -0.8 . . . . 0.0 112.19 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.5 mt -71.21 -44.56 65.16 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.385 -0.926 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.406 ' CD ' ' HZ3' ' A' ' 34' ' ' LYS . 51.7 tt0 -62.95 -42.0 99.68 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.487 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.457 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.2 t -83.06 -45.24 14.26 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.0 -0.68 . . . . 0.0 112.712 -178.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 39' ' ' THR . 95.4 mt-10 -71.68 -35.91 70.45 Favored 'General case' 0 CA--C 1.523 -0.067 0 C-N-CA 119.644 -0.822 . . . . 0.0 111.854 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.5 mt -123.07 51.38 1.45 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.664 0.269 . . . . 0.0 110.49 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.9 p -57.9 -25.23 60.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.193 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.52 -69.64 1.35 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 121.101 -0.571 . . . . 0.0 111.742 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -58.51 -43.74 89.24 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.612 ' O ' ' N ' ' A' ' 47' ' ' ALA . 40.4 mt -93.09 -0.54 57.03 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.552 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 53.4 p30 -19.8 81.21 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 122.127 0.965 . . . . 0.0 112.183 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.612 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -64.07 -18.02 63.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.26 -1.336 . . . . 0.0 111.491 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -54.41 -34.54 61.54 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.44 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -58.89 -36.88 75.4 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.54 ' CG ' ' H ' ' A' ' 53' ' ' ALA . 63.8 t0 -142.57 96.71 2.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.048 -1.433 . . . . 0.0 111.168 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.16 -40.53 86.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -60.7 -29.66 69.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.159 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.54 ' H ' ' CG ' ' A' ' 50' ' ' ASP . . . -52.77 -34.17 51.89 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.35 -0.54 . . . . 0.0 111.55 -176.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.485 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 4.2 m -60.0 -42.69 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 119.65 -0.82 . . . . 0.0 108.878 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.485 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 56.0 t0 -64.38 -39.51 94.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.39 0.614 . . . . 0.0 110.281 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -60.18 -42.69 95.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.204 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.6 m -76.5 -36.27 28.03 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 C-N-CA 119.307 -0.957 . . . . 0.0 111.677 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.531 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.1 ppp? -62.39 -35.22 78.5 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.44 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 58' ' ' MET . 19.5 ttpp -57.62 -40.84 80.09 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.948 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.9 -36.96 86.04 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.163 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.49 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 81.7 mt -66.5 -36.95 84.0 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.299 0.571 . . . . 0.0 110.375 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.524 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 99.4 m-20 -99.21 34.91 2.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.918 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -51.17 -30.3 16.38 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 121.425 0.631 . . . . 0.0 109.524 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.496 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 14.6 m120 -52.67 -34.25 51.0 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.598 -178.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.73 2.47 63.02 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 -178.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.694 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.9 p30 -61.83 -35.68 78.97 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 114.968 -0.616 . . . . 0.0 111.963 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.694 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 92.81 -6.97 77.15 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.524 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 42.2 tp10 -119.3 148.49 43.11 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.589 ' O ' ' O ' ' A' ' 28' ' ' LEU . 43.6 t -110.32 133.99 53.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 CA-C-O 121.276 0.56 . . . . 0.0 111.653 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.593 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 87.4 m-20 -95.78 147.52 23.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.844 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.549 ' CZ ' ' CG1' ' A' ' 75' ' ' VAL . 87.5 t80 -53.61 -38.08 63.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.476 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -55.32 -40.65 71.41 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.098 -0.641 . . . . 0.0 109.513 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.496 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 98.9 mt-10 -67.17 -38.52 85.59 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.306 0.574 . . . . 0.0 109.941 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.408 ' CE2' HG21 ' A' ' 78' ' ' VAL . 87.0 t80 -61.49 -43.61 98.55 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.549 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 35.1 m -67.2 -35.62 74.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.41 -46.53 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.237 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 tp -66.2 -38.95 89.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.408 HG21 ' CE2' ' A' ' 74' ' ' TYR . 73.9 t -61.01 -41.11 87.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 C-N-CA 120.676 -0.409 . . . . 0.0 112.074 -178.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.78 97.2 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.922 -178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.96 -42.62 66.36 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.67 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.445 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -65.22 -41.93 93.93 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.868 -177.286 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.559 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.2 t -58.71 -41.11 85.56 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.242 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.29 -41.85 91.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.48 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.27 71.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.547 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.559 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.7 OUTLIER -54.77 -35.83 64.22 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.593 -179.13 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.441 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 86.4 m-20 -56.71 -35.37 68.45 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.016 0.436 . . . . 0.0 110.273 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.897 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 98.2 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.884 0.373 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.91 -35.92 79.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.677 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.445 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 37.1 tp -58.69 -40.43 83.6 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.598 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.15 -40.31 89.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.105 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -65.0 -39.14 93.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.249 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.68 87.66 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.5 mtm -57.88 -40.82 81.15 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 118.289 -1.364 . . . . 0.0 108.725 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.599 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 98.5 mt-10 -67.58 -35.79 79.68 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.897 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 55.9 m -62.09 -44.36 96.83 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.769 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.8 -45.14 93.24 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-O 121.858 0.837 . . . . 0.0 110.326 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.4 mt -66.64 -38.7 82.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.436 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.599 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 2.4 m120 -60.9 -40.91 94.88 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.007 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 35.3 m -74.88 -39.87 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 119.612 -0.835 . . . . 0.0 111.133 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.514 ' C ' ' CD1' ' B' ' 15' ' ' PHE . 0.8 OUTLIER -63.54 -53.37 52.9 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.33 0.585 . . . . 0.0 110.996 178.489 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -61.82 -44.47 96.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.977 -1.011 . . . . 0.0 113.4 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.28 -53.03 41.48 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.878 -0.729 . . . . 0.0 112.714 -177.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -69.6 -47.0 65.0 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.504 ' O ' ' O ' ' B' ' 22' ' ' GLU . 78.7 p -63.63 -28.49 69.95 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.411 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.77 -34.49 82.63 Favored Glycine 0 CA--C 1.521 0.445 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.804 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.65 -41.42 86.03 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.029 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.592 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.1 mt-10 -153.15 160.36 42.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.447 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.17 34.3 52.05 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.178 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 61.11 138.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.34 0.591 . . . . 0.0 111.283 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -58.78 -34.77 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.73 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 75.1 m-85 -100.88 9.69 42.01 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.594 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 41.7 tptt -124.66 137.55 54.36 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.593 ' O ' ' O ' ' B' ' 69' ' ' VAL . 8.0 tp -105.99 126.55 52.33 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 30.6 t -103.13 155.15 18.61 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.909 -0.495 . . . . 0.0 112.092 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -54.07 -40.4 67.15 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.063 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -58.94 -47.94 83.28 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.377 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.592 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 98.9 mt-10 -62.85 -41.59 99.41 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.579 -177.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.48 -40.84 97.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.172 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -61.6 -48.54 80.46 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.758 177.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -69.15 -38.97 79.06 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 120.291 -0.564 . . . . 0.0 112.495 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 32' ' ' GLU . 89.8 mt -66.09 -47.1 75.33 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 119.674 -0.811 . . . . 0.0 112.164 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 50.8 mt -71.16 -44.56 65.25 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.326 -0.949 . . . . 0.0 111.158 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -62.84 -42.11 99.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.514 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.2 t -83.0 -45.24 14.31 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.712 -178.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' B' ' 39' ' ' THR . 95.4 mt-10 -71.74 -35.79 70.24 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 119.594 -0.843 . . . . 0.0 111.852 -177.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 61.9 mt -123.15 51.37 1.46 Allowed 'General case' 0 C--O 1.235 0.324 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.436 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -57.83 -25.25 60.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.207 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.59 -69.59 1.35 Allowed Glycine 0 CA--C 1.531 1.065 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.738 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -58.5 -43.67 89.18 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.619 ' O ' ' N ' ' B' ' 47' ' ' ALA . 40.3 mt -93.19 -0.4 56.89 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.561 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 53.8 p30 -19.81 81.19 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 122.095 0.95 . . . . 0.0 112.211 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.619 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -64.13 -18.0 64.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.412 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.29 -34.67 61.42 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.503 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -58.79 -36.97 75.32 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' B' ' 53' ' ' ALA . 63.7 t0 -142.53 96.82 3.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.053 -1.43 . . . . 0.0 111.128 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.27 -40.53 86.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -60.53 -29.83 69.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.579 -1.191 . . . . 0.0 112.265 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.543 ' H ' ' CG ' ' B' ' 50' ' ' ASP . . . -52.67 -34.11 50.34 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.58 -176.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.488 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 4.2 m -59.96 -42.84 90.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.488 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 56.0 t0 -64.24 -39.58 94.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.506 0.67 . . . . 0.0 110.354 177.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -60.13 -42.6 95.16 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.306 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 20.9 m -76.56 -36.36 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 C-N-CA 119.371 -0.931 . . . . 0.0 111.592 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.531 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.1 ppp? -62.2 -35.34 78.56 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.433 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' B' ' 58' ' ' MET . 19.6 ttpp -57.56 -40.91 79.97 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.916 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.89 -36.97 86.06 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.206 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.489 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 81.6 mt -66.4 -36.95 84.14 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.379 0.609 . . . . 0.0 110.49 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.525 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 99.6 m-20 -99.26 34.96 2.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.963 -178.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -51.08 -30.32 15.61 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-O 121.422 0.63 . . . . 0.0 109.592 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.5 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 14.8 m120 -52.81 -34.19 52.57 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.559 -178.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.86 2.38 62.82 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 109.117 -1.593 . . . . 0.0 109.117 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.689 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.7 p30 -61.77 -35.73 78.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.04 -0.58 . . . . 0.0 112.011 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.689 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 92.78 -6.94 77.22 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.525 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 42.3 tp10 -119.34 148.49 43.13 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.593 ' O ' ' O ' ' B' ' 28' ' ' LEU . 43.4 t -110.32 133.96 54.04 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-O 121.325 0.583 . . . . 0.0 111.638 -178.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.594 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 87.2 m-20 -95.79 147.47 23.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.876 178.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.55 ' CE2' ' CG1' ' B' ' 75' ' ' VAL . 87.6 t80 -53.53 -38.09 63.44 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.515 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -55.37 -40.63 71.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.482 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.5 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.0 mt-10 -67.11 -38.54 85.82 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.325 0.583 . . . . 0.0 109.991 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -61.44 -43.62 98.54 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.55 ' CG1' ' CE2' ' B' ' 71' ' ' PHE . 35.2 m -67.34 -35.53 73.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -178.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.44 -46.56 96.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.275 -0.97 . . . . 0.0 110.248 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.4 tp -66.18 -38.87 89.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.979 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 73.0 t -60.99 -41.21 88.23 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 C-N-CA 120.615 -0.434 . . . . 0.0 112.051 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.73 96.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.997 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.03 -42.5 66.26 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.675 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.452 ' O ' ' CD1' ' B' ' 81' ' ' LEU . 0.1 OUTLIER -65.3 -41.9 93.62 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.843 -177.246 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.566 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.2 t -58.78 -41.1 85.87 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.216 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.23 -41.95 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.505 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.34 71.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.54 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.566 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.7 OUTLIER -54.64 -35.89 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.669 -179.168 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.451 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 86.3 m-20 -56.7 -35.34 68.39 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.997 0.427 . . . . 0.0 110.299 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 . . . . . 0 CA--C 1.517 -0.295 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.689 0.28 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.86 -36.08 80.17 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.999 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.45 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 34.9 tp -59.18 -40.3 85.24 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.827 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.36 -38.62 87.64 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.511 ' O ' ' OG1' ' A' ' 10' ' ' THR . 48.3 m -65.03 -41.03 95.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.574 178.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.03 -50.09 65.41 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 ppp? -57.36 -42.39 81.95 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.179 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -64.81 -37.22 86.87 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.573 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.511 ' OG1' ' O ' ' A' ' 6' ' ' THR . 53.1 m -60.54 -41.68 94.97 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.734 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -57.17 -44.31 83.41 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 122.034 0.921 . . . . 0.0 109.547 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.434 HD13 HD22 ' B' ' 86' ' ' ASN . 76.7 mt -66.44 -39.26 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.529 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -59.73 -40.91 89.63 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.339 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 15' ' ' PHE . 34.9 m -74.42 -36.24 41.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.068 0 C-N-CA 119.944 -0.703 . . . . 0.0 109.783 178.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.694 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 91.4 t80 -58.79 -50.07 75.33 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.28 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.47 -45.29 94.89 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.87 -53.2 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -177.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.72 ' ND1' ' HZ3' ' A' ' 21' ' ' LYS . 98.1 m-70 -68.34 -46.51 69.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.507 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 94.0 p -61.86 -32.03 72.35 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.325 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 19' ' ' SER . . . -61.78 -31.31 77.69 Favored Glycine 0 CA--C 1.522 0.509 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.071 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.72 ' HZ3' ' ND1' ' A' ' 18' ' ' HIS . 63.9 mttp -57.16 -38.54 73.72 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -177.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 78.0 mm-40 -135.92 147.95 48.33 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.829 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.33 -137.17 49.79 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.091 -0.958 . . . . 0.0 112.997 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -81.09 132.13 35.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.65 -0.775 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' O ' ' OG ' ' A' ' 19' ' ' SER . 63.8 mttp -56.25 -32.29 64.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.377 -178.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 76.6 m-85 -103.02 11.65 37.02 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -176.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.609 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 6.8 tptt -134.11 137.74 44.77 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.473 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.9 mt -95.36 139.61 31.41 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.43 0.633 . . . . 0.0 110.797 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -103.15 159.35 15.61 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -52.07 -38.86 58.54 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.673 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -61.57 -50.38 72.86 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.119 -0.633 . . . . 0.0 112.022 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.524 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.9 mt-10 -63.18 -41.11 99.16 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.202 -176.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.16 -41.34 99.24 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.629 -1.169 . . . . 0.0 109.363 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.606 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 2.2 tptp -60.21 -46.08 90.98 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.053 178.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -68.07 -38.51 82.48 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.962 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.51 -47.16 76.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 119.464 -0.894 . . . . 0.0 112.582 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.479 HD11 ' N ' ' A' ' 37' ' ' LEU . 7.9 mp -71.14 -43.84 66.75 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.161 -1.016 . . . . 0.0 111.55 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.606 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.9 tt0 -62.87 -41.66 99.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.6 t -83.45 -45.92 13.08 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.742 -178.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' A' ' 39' ' ' THR . 95.8 mt-10 -72.43 -34.09 67.55 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 119.953 -0.699 . . . . 0.0 111.843 -178.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -118.23 37.25 4.06 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.0 t -53.38 -35.52 60.43 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.34 -178.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.66 -57.31 5.5 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.648 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -64.52 -46.59 82.28 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 46' ' ' ASP . 7.1 mp -91.78 -0.48 57.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' A' ' 45' ' ' LEU . 55.9 t0 -24.21 130.92 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.752 0.787 . . . . 0.0 111.878 -177.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.99 -17.54 64.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.341 -1.299 . . . . 0.0 111.884 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -54.47 -34.3 61.27 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.787 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -120.47 143.26 48.61 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 56.52 50.42 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.35 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.2 t -51.69 -39.59 24.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.633 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -77.25 7.11 5.54 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.473 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.43 -33.66 69.93 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.612 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.6 t -59.98 -46.02 94.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.341 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.54 -43.89 97.68 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.41 0.624 . . . . 0.0 110.597 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -62.78 -40.3 96.88 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.404 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.1 t -66.33 -46.66 86.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.079 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.517 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.6 ppp? -67.67 -36.81 81.39 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.667 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 58' ' ' MET . 40.1 tttp -59.24 -43.15 92.4 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.566 -0.454 . . . . 0.0 112.035 -178.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.65 -38.39 89.21 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.756 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.491 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 96.1 mt -67.6 -35.9 79.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.756 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.528 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 97.7 m-20 -95.41 34.74 1.4 Allowed 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -51.05 -30.4 15.51 Favored 'General case' 0 CA--C 1.5 -0.973 0 CA-C-O 121.51 0.671 . . . . 0.0 109.204 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.529 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 12.9 m120 -53.03 -33.73 53.17 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.38 -178.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.97 2.57 60.94 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.699 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.5 p30 -61.62 -35.7 78.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.955 -0.623 . . . . 0.0 111.757 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.699 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.27 -13.25 67.69 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.528 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 83.7 tt0 -122.05 151.21 41.1 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.4 t -101.55 132.39 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -177.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.609 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 84.7 m-20 -82.7 144.29 30.33 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.287 177.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.694 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 84.3 t80 -55.35 -41.36 72.42 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.763 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.43 -41.63 85.47 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.555 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.529 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.2 mt-10 -66.42 -39.95 89.24 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.978 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -64.5 -42.12 96.02 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.43 -40.22 83.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.249 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.0 t -64.14 -45.85 95.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.577 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.3 tp -66.86 -41.14 87.8 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -58.79 -33.59 49.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.068 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.0 86.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.03 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.76 77.05 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.792 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.534 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 69.0 mt -63.53 -39.28 94.01 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 112.629 0.604 . . . . 0.0 112.629 -178.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -62.3 -42.62 99.51 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 119.12 -1.032 . . . . 0.0 110.181 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.1 t -63.82 -41.8 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.149 0.499 . . . . 0.0 109.881 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.25 73.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.055 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.534 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 74.4 m -54.75 -39.97 68.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.852 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.429 HD22 HD13 ' B' ' 12' ' ' ILE . 22.8 m120 -59.53 -36.26 75.77 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.729 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 . . . . . 0 C--N 1.33 -0.252 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.369 -179.32 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.731 0.3 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.99 -36.01 80.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.919 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.455 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 35.1 tp -59.18 -40.28 85.17 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.86 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.35 -38.65 87.71 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.308 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.511 ' O ' ' OG1' ' B' ' 10' ' ' THR . 47.1 m -64.97 -41.01 95.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.592 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.03 -50.11 65.34 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' B' ' 9' ' ' GLU . 1.3 ppp? -57.28 -42.46 81.7 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.221 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.4 ' N ' ' SD ' ' B' ' 8' ' ' MET . 83.9 tt0 -64.86 -37.13 86.58 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.563 178.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.511 ' OG1' ' O ' ' B' ' 6' ' ' THR . 52.8 m -60.62 -41.62 95.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.762 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -57.11 -44.39 83.19 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 122.035 0.922 . . . . 0.0 109.557 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.429 HD13 HD22 ' A' ' 86' ' ' ASN . 76.5 mt -66.42 -39.27 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.483 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -59.8 -40.8 89.58 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.392 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.402 HG22 ' N ' ' B' ' 15' ' ' PHE . 35.0 m -74.49 -36.3 41.26 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.057 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.707 178.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.692 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 91.5 t80 -58.83 -50.0 75.61 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.225 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.54 -45.29 94.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.84 -53.15 23.05 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.72 ' ND1' ' HZ3' ' B' ' 21' ' ' LYS . 98.1 m-70 -68.37 -46.53 69.82 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.522 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 94.5 p -61.89 -31.97 72.31 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.348 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.442 ' N ' ' HG ' ' B' ' 19' ' ' SER . . . -61.86 -31.14 77.27 Favored Glycine 0 CA--C 1.523 0.59 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.075 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.72 ' HZ3' ' ND1' ' B' ' 18' ' ' HIS . 64.0 mttp -57.29 -38.52 74.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.508 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 78.0 mm-40 -135.91 147.97 48.36 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.835 0.679 . . . . 0.0 112.835 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.28 -137.21 49.69 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 115.033 -0.985 . . . . 0.0 113.008 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -81.11 132.1 35.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 114.604 -0.798 . . . . 0.0 110.84 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.522 ' O ' ' OG ' ' B' ' 19' ' ' SER . 63.8 mttp -56.21 -32.28 64.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.377 -178.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 76.9 m-85 -103.08 11.67 36.89 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -176.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.61 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 6.8 tptt -134.17 137.78 44.69 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.403 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 85.1 mt -95.37 139.57 31.47 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.419 0.628 . . . . 0.0 110.779 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.2 m -103.12 159.3 15.65 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -52.03 -38.78 58.14 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 118.767 -1.173 . . . . 0.0 108.783 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -61.66 -50.27 73.17 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.075 -0.65 . . . . 0.0 112.064 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.508 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.9 mt-10 -63.13 -41.17 99.26 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.19 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.11 -41.45 99.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.344 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.608 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 2.2 tptp -60.21 -46.06 91.04 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.974 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -68.19 -38.44 81.98 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.898 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.52 -47.18 76.84 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 119.467 -0.893 . . . . 0.0 112.591 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.476 HD11 ' N ' ' B' ' 37' ' ' LEU . 7.9 mp -71.08 -43.9 66.8 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.226 -0.99 . . . . 0.0 111.516 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.608 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.0 tt0 -62.9 -41.64 99.5 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.6 t -83.45 -45.99 13.02 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.041 -0.664 . . . . 0.0 112.677 -178.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.473 ' N ' ' CG2' ' B' ' 39' ' ' THR . 95.8 mt-10 -72.46 -34.0 67.44 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.841 -178.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -118.16 37.05 4.12 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.0 t -53.27 -35.54 60.16 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.351 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.72 -57.25 5.49 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.675 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -64.44 -46.56 82.64 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -178.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' B' ' 46' ' ' ASP . 7.1 mp -91.9 -0.44 57.5 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' B' ' 45' ' ' LEU . 55.8 t0 -24.22 130.86 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.735 0.778 . . . . 0.0 111.954 -177.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.91 -17.57 64.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.869 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -54.48 -34.29 61.3 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.751 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -120.43 143.22 48.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 56.53 50.53 12.75 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.285 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 48.9 t -51.8 -39.48 24.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.691 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -77.19 7.04 5.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.504 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.35 -33.69 69.83 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.596 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.04 -46.05 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.282 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.54 -43.85 97.79 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.64 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -62.73 -40.42 97.13 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.365 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 72.5 t -66.31 -46.58 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.187 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.512 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.6 ppp? -67.72 -36.83 81.32 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.666 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' B' ' 58' ' ' MET . 40.1 tttp -59.13 -43.28 91.98 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.535 -0.466 . . . . 0.0 112.095 -178.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.48 -38.43 89.75 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.789 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.478 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 96.0 mt -67.59 -35.95 79.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.736 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.527 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 97.7 m-20 -95.43 34.73 1.41 Allowed 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.95 -30.54 15.16 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.531 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 12.6 m120 -52.96 -33.63 52.08 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.489 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.95 2.48 61.01 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 108.849 -1.7 . . . . 0.0 108.849 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.688 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.4 p30 -61.61 -35.74 78.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.99 -0.605 . . . . 0.0 111.801 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.688 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.4 -13.26 67.63 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.527 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 83.7 tt0 -122.07 151.17 41.16 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.6 132.37 47.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.61 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 84.8 m-20 -82.67 144.28 30.37 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.236 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.692 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 84.2 t80 -55.42 -41.31 72.6 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.757 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.41 -41.67 85.47 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.46 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.531 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.2 mt-10 -66.53 -39.89 88.85 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.916 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -64.44 -42.19 96.14 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.47 -40.17 83.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.211 -178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 63.8 t -64.17 -45.74 95.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.609 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.4 tp -67.04 -41.06 87.16 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -58.78 -33.53 49.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.109 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.07 87.01 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.42 -40.78 77.07 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.778 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.536 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 69.1 mt -63.54 -39.22 93.84 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -178.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -62.3 -42.68 99.56 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.21 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 94.9 t -63.87 -41.7 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.115 0.483 . . . . 0.0 109.892 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.29 73.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.04 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.536 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 74.7 m -54.81 -39.98 69.05 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.84 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.434 HD22 HD13 ' A' ' 12' ' ' ILE . 22.7 m120 -59.37 -36.39 75.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.721 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 CA--C 1.516 -0.337 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.469 -179.358 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.533 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 58.8 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.678 0.275 . . . . 0.0 110.647 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -63.19 -35.96 82.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.062 0.458 . . . . 0.0 110.36 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.08 -42.74 95.26 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.344 -177.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.51 -40.16 93.62 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 119.809 -0.756 . . . . 0.0 109.122 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.3 m -63.97 -38.11 89.89 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.338 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.24 96.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.315 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mtm -57.49 -41.26 80.37 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 117.851 -1.539 . . . . 0.0 108.857 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.585 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 98.4 mt-10 -68.47 -36.92 79.66 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.639 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.9 m -62.54 -44.24 96.84 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.401 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.403 ' O ' ' CD2' ' A' ' 15' ' ' PHE . 84.4 mt -59.9 -46.79 88.23 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.81 0.815 . . . . 0.0 110.391 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.438 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 81.0 mt -64.32 -39.73 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.308 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 2.4 m120 -60.62 -40.49 92.08 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.361 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 15' ' ' PHE . 26.9 m -76.53 -47.41 29.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 119.407 -0.917 . . . . 0.0 112.481 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.43 ' N ' HG23 ' A' ' 14' ' ' VAL . 59.3 m-85 -66.32 -42.41 88.28 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 119.735 -0.786 . . . . 0.0 110.6 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 85.7 t60 -61.29 -45.29 95.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.748 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.52 -52.0 36.84 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -62.47 -42.97 99.86 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.503 ' O ' ' O ' ' A' ' 22' ' ' GLU . 85.1 p -61.6 -30.99 71.04 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.02 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.36 -33.25 80.04 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -57.9 -38.55 76.02 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.207 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.503 ' O ' ' O ' ' A' ' 19' ' ' SER . 77.3 mm-40 -131.66 148.42 52.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.933 0.397 . . . . 0.0 111.174 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.98 -162.6 2.39 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -71.59 143.86 49.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.848 0.356 . . . . 0.0 111.006 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -58.94 -39.94 83.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.766 0.794 . . . . 0.0 110.803 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.578 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.0 m-30 -72.18 -23.93 61.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.187 -1.369 . . . . 0.0 112.803 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -113.31 142.21 46.11 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.7 mt -104.15 133.58 48.84 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 113.515 -1.675 . . . . 0.0 106.962 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.2 m -100.9 164.16 11.96 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.554 ' CE ' ' OD1' ' A' ' 55' ' ' ASP . 63.5 tttm -52.23 -42.57 63.7 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 118.713 -1.195 . . . . 0.0 110.09 -177.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.94 -49.39 76.34 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.864 -0.734 . . . . 0.0 112.003 177.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.499 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.8 mt-10 -62.45 -39.59 93.86 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.569 -175.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.61 -40.49 97.13 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 114.475 -1.238 . . . . 0.0 109.308 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HZ3' HE22 ' A' ' 38' ' ' GLN . 7.4 tptp -60.61 -48.32 82.29 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.665 177.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.25 -37.04 80.36 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.884 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.48 ' N ' HD23 ' A' ' 36' ' ' LEU . 1.5 mm? -67.65 -50.66 56.76 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.016 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.41 -40.1 77.51 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 119.663 -0.815 . . . . 0.0 111.099 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.417 HE22 ' HZ3' ' A' ' 34' ' ' LYS . 51.9 tt0 -63.13 -42.08 99.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.221 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 3.2 t -83.87 -44.54 14.18 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.155 -0.618 . . . . 0.0 112.426 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.541 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 78.0 mm-40 -70.93 -34.78 71.84 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.284 -178.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -123.49 48.42 1.85 Allowed 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.291 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -57.14 -25.11 58.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.776 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.96 -68.72 1.29 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 85' ' ' CYS . 75.0 t80 -57.94 -45.44 86.6 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -177.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 46' ' ' ASP . 71.9 mt -93.39 -0.72 56.44 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.534 ' C ' ' O ' ' A' ' 45' ' ' LEU . 58.4 t0 -25.94 118.02 0.07 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.358 0.599 . . . . 0.0 111.23 -178.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.39 -22.41 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.738 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -55.52 -35.28 65.46 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.488 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -59.38 -41.6 89.74 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.422 ' OD2' ' OD1' ' A' ' 52' ' ' ASP . 60.6 t0 -147.39 119.68 8.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.235 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.27 -40.49 89.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 48.9 p30 -89.77 9.11 28.55 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.7 -33.34 72.73 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.82 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.24 -44.78 96.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.554 ' OD1' ' CE ' ' A' ' 30' ' ' LYS . 83.8 m-20 -60.69 -43.43 97.74 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.755 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -63.05 -38.35 90.83 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.477 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 60.0 t -64.01 -48.25 86.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.174 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.552 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 2.9 ppp? -74.58 -38.3 62.69 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-O 122.315 1.055 . . . . 0.0 113.308 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' N ' ' CG ' ' A' ' 58' ' ' MET . 54.6 tptt -63.0 -42.78 99.94 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 114.745 -1.116 . . . . 0.0 113.823 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.16 -32.44 72.71 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.589 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -68.15 -39.34 82.65 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 110.604 -2.998 . . . . 0.0 111.424 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.481 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 52.6 t0 -82.61 92.25 7.1 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 118.93 -1.108 . . . . 0.0 110.92 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -67.41 -39.14 85.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.102 0.477 . . . . 0.0 112.121 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.486 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 23.4 m120 -59.02 -37.16 76.29 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.564 -0.743 . . . . 0.0 112.394 -177.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.37 4.99 80.05 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 107.665 -2.174 . . . . 0.0 107.665 -177.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.2 p30 -62.41 -32.44 73.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 113.773 -1.214 . . . . 0.0 112.594 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.662 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.94 -10.3 62.08 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.513 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 84.3 tt0 -112.25 140.85 46.62 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.4 t -102.66 131.28 51.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.688 0.756 . . . . 0.0 112.563 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -90.08 145.47 25.04 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.332 -1.304 . . . . 0.0 107.968 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -54.43 -39.44 67.36 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.728 -0.789 . . . . 0.0 109.64 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.42 -39.7 88.36 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.289 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.486 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.5 mt-10 -68.4 -41.15 80.89 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.005 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -64.79 -43.34 93.54 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 m -65.64 -35.9 76.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.863 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.64 -45.24 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.184 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' A' ' 57' ' ' VAL . 33.7 tp -65.19 -39.77 93.3 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.647 179.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 49.7 t -62.16 -38.17 80.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.412 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -56.01 -39.46 71.94 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.105 -177.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.1 -42.9 75.51 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.407 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.39 -38.02 89.58 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.557 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -60.09 -38.01 81.64 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 119.571 -0.852 . . . . 0.0 110.052 -179.445 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.03 -42.95 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -34.54 78.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.443 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.557 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -59.54 -33.15 71.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.286 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -54.87 -36.99 65.69 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.867 0.365 . . . . 0.0 110.806 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.917 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.541 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 58.4 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.633 0.254 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -63.19 -35.94 81.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.042 0.449 . . . . 0.0 110.375 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.09 -42.76 95.32 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.398 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.55 -40.1 93.47 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.163 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.0 m -64.01 -38.09 89.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.348 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.24 96.14 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.242 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mtm -57.51 -41.2 80.33 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 117.866 -1.534 . . . . 0.0 108.845 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.588 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 98.4 mt-10 -68.5 -36.93 79.6 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.659 178.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.3 m -62.56 -44.26 96.78 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.394 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -59.84 -46.78 88.19 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.734 0.778 . . . . 0.0 110.434 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' B' ' 16' ' ' HIS . 80.7 mt -64.36 -39.68 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.379 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.588 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 2.3 m120 -60.67 -40.44 92.09 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.364 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.426 HG23 ' N ' ' B' ' 15' ' ' PHE . 26.8 m -76.63 -47.31 29.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 119.367 -0.933 . . . . 0.0 112.454 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.426 ' N ' HG23 ' B' ' 14' ' ' VAL . 58.8 m-85 -66.37 -42.31 88.17 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.625 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.44 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 85.7 t60 -61.36 -45.29 95.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.705 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.65 -51.89 37.14 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -62.44 -42.94 99.82 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.509 ' O ' ' O ' ' B' ' 22' ' ' GLU . 85.3 p -61.62 -30.96 71.04 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.012 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.44 -33.19 80.22 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.382 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -57.79 -38.59 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.168 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.509 ' O ' ' O ' ' B' ' 19' ' ' SER . 77.2 mm-40 -131.77 148.47 52.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.943 0.401 . . . . 0.0 111.127 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.8 -162.52 2.31 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -71.58 143.8 49.73 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.474 -0.363 . . . . 0.0 111.057 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -58.79 -40.02 82.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.763 0.792 . . . . 0.0 110.784 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.0 m-30 -72.22 -23.87 61.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.257 -1.338 . . . . 0.0 112.779 -175.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -113.35 142.25 46.09 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.1 mt -104.11 133.56 48.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 113.617 -1.629 . . . . 0.0 106.992 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 41.1 m -100.96 164.1 11.98 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.56 ' CE ' ' OD1' ' B' ' 55' ' ' ASP . 63.4 tttm -52.18 -42.61 63.59 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 118.728 -1.189 . . . . 0.0 110.07 -177.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.94 -49.37 76.42 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.987 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.506 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.8 mt-10 -62.48 -39.55 93.82 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.613 -175.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.56 -40.54 97.17 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.334 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.43 ' HZ3' HE22 ' B' ' 38' ' ' GLN . 7.4 tptp -60.56 -48.41 81.89 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.66 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -68.17 -37.05 80.55 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.114 -0.635 . . . . 0.0 111.911 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.475 HD23 ' N ' ' B' ' 36' ' ' LEU . 1.5 mm? -67.65 -50.71 56.54 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.988 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 47.4 mt -69.37 -40.15 77.63 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.127 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.43 HE22 ' HZ3' ' B' ' 34' ' ' LYS . 51.9 tt0 -63.1 -42.01 99.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.189 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 3.2 t -83.91 -44.61 14.07 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.146 -0.621 . . . . 0.0 112.415 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.533 ' OE1' ' CB ' ' A' ' 2' ' ' SER . 78.0 mm-40 -70.9 -34.75 71.88 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.319 -178.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -123.51 48.32 1.87 Allowed 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.354 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -56.98 -25.21 57.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.837 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.97 -68.66 1.29 Allowed Glycine 0 CA--C 1.531 1.088 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' B' ' 85' ' ' CYS . 75.1 t80 -57.98 -45.41 86.81 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.53 ' O ' ' C ' ' B' ' 46' ' ' ASP . 71.8 mt -93.29 -0.89 56.57 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -179.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.53 ' C ' ' O ' ' B' ' 45' ' ' LEU . 58.3 t0 -25.8 118.03 0.07 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.354 0.597 . . . . 0.0 111.287 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.43 -22.41 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.795 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -55.52 -35.33 65.51 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.582 -178.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -59.27 -41.71 89.5 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.433 ' OD2' ' OD1' ' B' ' 52' ' ' ASP . 60.6 t0 -147.29 119.64 8.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.257 178.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.22 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' B' ' 52' ' ' ASP . 48.9 p30 -89.78 9.05 28.79 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -178.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.65 -33.43 72.8 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.827 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 77.6 t -60.13 -44.85 96.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.56 ' OD1' ' CE ' ' B' ' 30' ' ' LYS . 83.8 m-20 -60.65 -43.35 97.71 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.816 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -63.13 -38.4 91.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.406 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 59.1 t -63.99 -48.24 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.217 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.562 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 2.9 ppp? -74.55 -38.37 62.74 Favored 'General case' 0 C--O 1.206 -1.211 0 CA-C-O 122.236 1.017 . . . . 0.0 113.259 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.422 ' N ' ' CG ' ' B' ' 58' ' ' MET . 54.7 tptt -62.95 -42.78 99.92 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.767 -1.106 . . . . 0.0 113.803 -176.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.13 -32.43 72.7 Favored 'General case' 0 CA--C 1.489 -1.374 0 CA-C-O 123.652 1.691 . . . . 0.0 106.496 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.606 ' C ' ' CD1' ' B' ' 61' ' ' LEU . 0.0 OUTLIER -68.19 -39.32 82.53 Favored 'General case' 0 N--CA 1.422 -1.827 0 CA-C-N 110.556 -3.02 . . . . 0.0 111.436 179.758 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.492 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 52.6 t0 -82.61 92.31 7.11 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 118.982 -1.087 . . . . 0.0 110.921 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -67.5 -39.06 85.18 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.05 0.452 . . . . 0.0 112.11 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.495 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 23.5 m120 -59.1 -37.15 76.48 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.271 -176.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.33 5.07 80.08 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 -177.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.2 p30 -62.45 -32.55 73.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 113.723 -1.239 . . . . 0.0 112.477 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.662 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 99.01 -10.36 61.96 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -178.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.522 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 84.3 tt0 -112.23 140.9 46.55 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 69.6 t -102.67 131.27 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.637 0.732 . . . . 0.0 112.553 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -90.15 145.48 25.01 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 114.333 -1.303 . . . . 0.0 107.897 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -54.42 -39.47 67.36 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 119.72 -0.792 . . . . 0.0 109.625 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.33 -39.65 87.82 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.369 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.495 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.5 mt-10 -68.51 -41.0 80.59 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.037 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -64.97 -43.22 93.34 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 20.0 m -65.65 -35.93 76.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.921 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.61 -45.26 99.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 119.715 -0.794 . . . . 0.0 110.204 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.402 ' CD2' ' O ' ' B' ' 57' ' ' VAL . 33.6 tp -65.13 -39.89 93.69 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.603 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.01 -38.27 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.41 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -55.98 -39.5 71.9 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.067 -177.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.11 -42.84 75.56 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.394 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.39 -38.1 89.83 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.556 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 0.9 OUTLIER -60.16 -37.95 81.7 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.035 -179.409 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.0 -43.01 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.62 78.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.419 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -59.46 -33.14 70.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.251 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -54.84 -37.03 65.66 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 120.936 0.398 . . . . 0.0 110.792 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.705 0.288 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.04 -35.21 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.212 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.447 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 29.7 tp -59.14 -39.57 82.8 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.16 -179.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.28 -40.81 87.28 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 119.512 -0.875 . . . . 0.0 108.753 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.4 m -65.91 -37.7 86.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.83 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.11 -46.22 88.37 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.69 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.4 mtm -58.55 -40.48 83.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 118.844 -1.142 . . . . 0.0 109.064 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.585 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.8 mt-10 -67.17 -37.23 83.37 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.85 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.9 m -62.23 -43.72 98.18 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.08 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.29 -44.88 95.51 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.009 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.4 HD12 HG21 ' A' ' 12' ' ' ILE . 79.0 mt -65.82 -43.88 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.886 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 85.7 m-20 -59.99 -39.18 84.83 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.309 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.0 t -65.44 -42.88 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -59.94 -49.1 79.02 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.177 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.26 -39.87 94.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.457 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.7 98.55 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -100.86 -33.1 10.36 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -177.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.484 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 86.4 p -60.74 -29.35 69.33 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.971 -178.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.4 -27.51 63.36 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 115.476 -0.784 . . . . 0.0 114.537 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -56.76 -43.59 80.91 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.416 1.108 . . . . 0.0 112.343 -176.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 76.8 mm-40 -135.54 143.28 45.63 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.356 0.598 . . . . 0.0 111.717 178.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.86 -167.52 54.86 Favored Glycine 0 CA--C 1.518 0.268 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -72.8 143.49 47.87 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.8 -38.68 82.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.272 1.034 . . . . 0.0 108.792 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 68.9 m-85 -71.56 -21.14 61.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.017 -1.901 . . . . 0.0 113.129 -178.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.528 ' HZ1' ' CD ' ' A' ' 68' ' ' GLU . 23.1 tptm -112.27 140.54 46.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 109.944 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' A' ' 69' ' ' VAL . 0.5 OUTLIER -96.76 132.58 42.32 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.635 -177.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.4 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 49.0 m -102.72 152.83 20.76 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.52 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 76.6 tttt -56.39 -42.12 77.41 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.175 -178.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -59.83 -49.11 78.98 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.828 0.823 . . . . 0.0 110.718 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.552 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.6 mt-10 -61.69 -37.62 84.82 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.392 -177.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.8 tp -63.29 -43.18 98.62 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.988 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.541 ' NZ ' ' NE2' ' A' ' 38' ' ' GLN . 6.9 tptp -59.94 -42.2 93.5 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.613 177.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -69.42 -39.14 78.07 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.416 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.42 -48.87 68.65 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 119.213 -0.995 . . . . 0.0 112.189 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.0 mt -68.8 -42.33 77.45 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.309 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.541 ' NE2' ' NZ ' ' A' ' 34' ' ' LYS . 51.5 tt0 -63.67 -42.35 98.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.489 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.1 t -85.18 -46.28 11.23 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.584 -0.846 . . . . 0.0 112.335 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.489 ' N ' ' CG2' ' A' ' 39' ' ' THR . 96.0 mt-10 -73.29 -33.77 65.38 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.231 -0.587 . . . . 0.0 112.039 -178.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -121.4 41.35 3.36 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.053 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -54.25 -32.16 55.33 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.157 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.75 -64.86 1.59 Allowed Glycine 0 CA--C 1.533 1.158 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.549 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -57.86 -44.45 86.59 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.539 ' O ' ' C ' ' A' ' 46' ' ' ASP . 8.4 mp -94.87 -0.93 53.61 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.539 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.0 t0 -22.77 100.42 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.73 0.776 . . . . 0.0 111.485 -177.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' ASP . . . -64.16 -21.8 66.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 114.23 -1.35 . . . . 0.0 111.928 -179.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.99 -35.34 64.24 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.536 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.502 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 75.1 mmtt -59.81 -37.85 80.31 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.502 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.6 m-20 -141.03 101.29 4.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.332 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.35 -40.85 89.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -84.17 -1.09 54.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.03 -30.13 70.13 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.894 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.9 t -57.84 -45.42 87.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.513 -179.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.52 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 89.9 m-20 -62.59 -41.47 98.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.447 0.641 . . . . 0.0 110.365 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -59.83 -39.49 85.29 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.786 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.47 -44.14 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.015 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.5 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.0 ppp? -63.81 -38.47 91.23 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.761 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 58' ' ' MET . 95.9 mttt -59.01 -38.83 80.15 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.699 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.93 -37.05 86.34 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.786 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.486 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 96.2 mt -67.08 -37.02 83.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.753 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.593 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 51.5 t0 -76.06 85.96 2.94 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.439 -0.905 . . . . 0.0 110.53 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -66.9 -39.4 87.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.85 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' A' ' 66' ' ' ASP . 43.9 p-10 -89.23 0.39 56.8 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -177.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.458 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 74.93 11.23 83.85 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.949 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.2 p30 -62.9 -33.27 74.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.733 0.301 . . . . 0.0 111.8 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 97.21 -5.01 62.84 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.528 ' CD ' ' HZ1' ' A' ' 27' ' ' LYS . 80.0 tt0 -115.47 148.42 39.47 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.49 ' O ' ' O ' ' A' ' 28' ' ' LEU . 48.4 t -106.09 133.84 49.38 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-O 121.708 0.766 . . . . 0.0 112.771 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.6 t0 -103.4 149.09 25.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.266 178.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.441 ' CZ ' ' CG1' ' A' ' 75' ' ' VAL . 65.9 t80 -52.72 -39.87 62.46 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.336 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.24 -40.66 78.04 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.009 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.486 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.3 mt-10 -67.41 -41.19 85.31 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.419 0.628 . . . . 0.0 111.068 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -64.77 -42.18 95.31 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.441 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 32.1 m -64.12 -37.16 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -176.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.406 ' N ' HG23 ' A' ' 75' ' ' VAL . 33.9 m -72.69 -43.11 62.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 118.745 -1.182 . . . . 0.0 111.745 -179.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.32 -40.92 81.49 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 p -59.23 -33.14 49.86 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.738 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.439 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -58.69 -37.49 76.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.262 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.02 -42.2 76.71 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.138 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.09 -38.71 91.62 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.1 t -58.62 -40.27 82.82 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 118.895 -1.122 . . . . 0.0 109.509 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.58 -41.25 89.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.0 74.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.017 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.2 m -55.59 -34.33 64.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -55.02 -37.56 66.79 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.044 0.45 . . . . 0.0 110.47 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 C--N 1.329 -0.286 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.685 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 56.4 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.766 0.317 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.99 -35.25 77.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.222 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.447 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 29.5 tp -59.1 -39.53 82.52 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.205 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.4 -40.86 87.97 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 119.463 -0.895 . . . . 0.0 108.629 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 49.1 m -65.89 -37.54 86.38 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.918 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.28 88.02 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.382 -0.827 . . . . 0.0 112.718 -177.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 58.3 mtm -58.52 -40.52 83.11 Favored 'General case' 0 CA--C 1.514 -0.434 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.03 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.587 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.9 mt-10 -67.2 -37.23 83.3 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.753 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 43.9 m -62.2 -43.73 98.18 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.141 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.23 -44.95 95.4 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.035 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.8 -43.88 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.805 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 86.0 m-20 -60.06 -39.14 84.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.3 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 76.7 t -65.41 -42.86 94.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -59.96 -49.08 79.06 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 114.952 -1.022 . . . . 0.0 112.142 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.25 -39.83 94.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.5 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.71 98.67 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -100.86 -33.0 10.4 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.474 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 86.4 p -60.83 -29.43 69.49 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.894 -178.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.36 -27.52 63.28 Favored Glycine 0 CA--C 1.535 1.302 0 CA-C-N 115.49 -0.777 . . . . 0.0 114.497 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -56.72 -43.51 80.7 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 118.488 1.144 . . . . 0.0 112.422 -176.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.537 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 76.8 mm-40 -135.62 143.29 45.47 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.344 0.593 . . . . 0.0 111.718 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.81 -167.5 54.84 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -72.85 143.5 47.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.83 -38.68 82.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.263 1.03 . . . . 0.0 108.746 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 69.6 m-85 -71.61 -21.1 61.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.08 -1.873 . . . . 0.0 113.034 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.532 ' HZ1' ' CD ' ' B' ' 68' ' ' GLU . 23.1 tptm -112.24 140.6 46.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 110.037 -179.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.494 ' O ' ' O ' ' B' ' 69' ' ' VAL . 0.5 OUTLIER -96.73 132.58 42.27 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.643 -177.85 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.402 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 48.9 m -102.69 152.8 20.79 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.517 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 76.6 tttt -56.36 -42.2 77.42 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.176 -178.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -59.78 -49.11 78.99 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.786 0.803 . . . . 0.0 110.723 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.537 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.6 mt-10 -61.72 -37.64 84.94 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.391 -177.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 62.9 tp -63.4 -43.09 98.52 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.912 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.542 ' NZ ' ' NE2' ' B' ' 38' ' ' GLN . 6.9 tptp -59.96 -42.26 93.71 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.522 177.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -69.36 -39.14 78.26 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.401 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.47 -48.79 68.75 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.121 -1.032 . . . . 0.0 112.204 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.83 -42.32 77.36 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.281 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.542 ' NE2' ' NZ ' ' B' ' 34' ' ' LYS . 51.4 tt0 -63.66 -42.38 98.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.0 t -85.17 -46.25 11.27 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.64 -0.824 . . . . 0.0 112.371 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.479 ' N ' ' CG2' ' B' ' 39' ' ' THR . 95.9 mt-10 -73.26 -33.92 65.52 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.997 -178.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -121.33 41.36 3.35 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.042 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -54.29 -32.25 55.88 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.115 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.69 -64.86 1.59 Allowed Glycine 0 CA--C 1.534 1.22 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.552 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -57.86 -44.44 86.57 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -177.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' B' ' 46' ' ' ASP . 8.4 mp -94.78 -0.95 53.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.534 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.0 t0 -22.75 100.57 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.735 0.778 . . . . 0.0 111.417 -177.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' B' ' 50' ' ' ASP . . . -64.46 -21.68 66.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.844 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.94 -35.42 64.2 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.529 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.5 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 75.1 mmtt -59.74 -37.91 80.27 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.5 m-20 -140.98 101.3 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.365 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.42 -40.82 89.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -84.18 -1.01 54.33 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.19 -29.99 70.14 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.893 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 64.9 t -57.82 -45.47 87.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 119.969 -0.693 . . . . 0.0 110.594 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.517 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 90.0 m-20 -62.59 -41.45 98.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.462 0.649 . . . . 0.0 110.36 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -59.79 -39.45 84.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.854 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.1 t -67.44 -44.26 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.997 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.501 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.0 ppp? -63.76 -38.52 91.41 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.746 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' B' ' 58' ' ' MET . 95.9 mttt -58.94 -38.91 80.09 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 119.397 -0.921 . . . . 0.0 110.652 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.85 -37.08 86.44 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.274 -0.57 . . . . 0.0 109.834 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 96.3 mt -67.04 -37.09 83.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.753 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.595 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 51.5 t0 -76.1 86.04 2.97 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.608 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -66.91 -39.44 87.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.804 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.402 ' ND2' ' HB3' ' B' ' 66' ' ' ASP . 43.8 p-10 -89.31 0.43 56.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -176.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.469 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 75.05 11.14 84.14 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.887 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.643 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.3 p30 -62.81 -33.35 75.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.718 0.295 . . . . 0.0 111.733 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.643 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 97.26 -5.05 62.77 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.532 ' CD ' ' HZ1' ' B' ' 27' ' ' LYS . 80.0 tt0 -115.5 148.35 39.58 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.494 ' O ' ' O ' ' B' ' 28' ' ' LEU . 48.4 t -106.03 133.77 49.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.674 0.75 . . . . 0.0 112.805 -177.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.7 t0 -103.42 149.18 25.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.279 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.451 ' CZ ' ' CG1' ' B' ' 75' ' ' VAL . 66.0 t80 -52.63 -39.95 62.26 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.372 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.28 -40.58 78.04 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.09 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.488 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 98.3 mt-10 -67.4 -41.23 85.26 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.376 0.607 . . . . 0.0 111.08 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -64.69 -42.17 95.51 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.451 ' CG1' ' CZ ' ' B' ' 71' ' ' PHE . 32.3 m -64.2 -37.04 78.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -176.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.402 ' N ' HG23 ' B' ' 75' ' ' VAL . 34.0 m -72.85 -43.11 60.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 118.695 -1.202 . . . . 0.0 111.636 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.5 tp -68.26 -40.99 81.73 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 p -59.15 -33.21 49.88 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.767 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.438 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -58.66 -37.47 76.05 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.332 -179.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.99 -42.29 76.69 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.168 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 7.1 mp -64.99 -38.69 91.79 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.1 t -58.59 -40.3 82.8 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 118.862 -1.135 . . . . 0.0 109.501 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.55 -41.3 89.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.3 -32.97 74.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.972 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 70.9 m -55.58 -34.43 64.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -54.85 -37.61 66.42 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.1 0.476 . . . . 0.0 110.502 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.716 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.8 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.851 0.358 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.84 -34.51 76.1 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.422 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 48.9 tp -57.22 -40.0 76.62 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.362 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.18 -39.57 90.63 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 119.334 -0.947 . . . . 0.0 109.482 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.5 ' O ' ' OG1' ' A' ' 10' ' ' THR . 45.8 m -63.84 -42.37 97.61 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.14 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.27 91.06 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.457 0.646 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmm -52.14 -50.72 61.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.835 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -70.08 -36.26 74.8 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.18 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' A' ' 6' ' ' THR . 57.1 m -58.83 -42.75 89.99 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.45 -47.67 81.2 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 121.9 0.857 . . . . 0.0 110.428 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.452 HD12 HG23 ' A' ' 12' ' ' ILE . 78.9 mt -64.3 -38.85 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.139 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -59.81 -39.98 86.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.619 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.427 HG21 ' N ' ' A' ' 15' ' ' PHE . 28.5 m -77.46 -47.85 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 C-N-CA 119.598 -0.841 . . . . 0.0 112.596 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.457 ' CZ ' ' CE2' ' A' ' 74' ' ' TYR . 72.7 m-85 -67.48 -43.15 81.65 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 118.961 -1.095 . . . . 0.0 111.724 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -62.42 -44.37 96.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.831 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.5 74.8 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -177.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.529 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 6.1 t60 -70.13 -44.39 69.01 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 120.943 0.401 . . . . 0.0 111.692 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.532 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 85.1 p -60.79 -29.96 69.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.509 -178.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.97 -33.9 76.21 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.772 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -58.26 -40.19 81.17 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.266 -178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.535 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.6 mt-10 -137.34 143.96 42.3 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.814 179.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.67 -165.38 52.46 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -72.31 147.93 45.88 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.036 0.446 . . . . 0.0 110.018 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' O ' ' OG ' ' A' ' 19' ' ' SER . 64.9 mttm -58.86 -32.73 69.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.668 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -105.47 13.85 29.53 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HZ1' ' HB2' ' A' ' 70' ' ' ASP . 36.0 tptt -123.7 132.83 53.92 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.538 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' O ' ' O ' ' A' ' 69' ' ' VAL . 56.2 mt -100.67 137.15 39.45 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.351 0.596 . . . . 0.0 109.994 177.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -101.29 157.5 16.74 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.604 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 58.4 tttt -51.46 -41.73 61.09 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 119.016 -1.074 . . . . 0.0 109.2 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -61.86 -50.41 72.36 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.199 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.535 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.3 mt-10 -63.53 -41.48 98.48 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.674 -176.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.57 -42.97 99.88 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.008 -0.997 . . . . 0.0 110.155 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.526 ' HZ2' ' CD ' ' A' ' 38' ' ' GLN . 11.8 tptp -61.49 -46.33 90.48 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.898 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.64 -38.06 86.12 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 119.766 -0.774 . . . . 0.0 111.951 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.403 HD22 ' CG ' ' A' ' 18' ' ' HIS . 85.8 mt -66.31 -46.39 77.1 Favored 'General case' 0 CA--C 1.519 -0.243 0 C-N-CA 119.238 -0.985 . . . . 0.0 111.931 178.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.0 mt -68.47 -43.13 77.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 119.064 -1.054 . . . . 0.0 110.907 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.526 ' CD ' ' HZ2' ' A' ' 34' ' ' LYS . 51.4 tt0 -64.43 -42.29 96.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.022 -0.99 . . . . 0.0 113.322 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.9 t -83.57 -47.03 11.73 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.776 -0.77 . . . . 0.0 112.302 -178.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' A' ' 39' ' ' THR . 95.7 mt-10 -73.18 -33.76 65.61 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.173 -0.611 . . . . 0.0 111.492 -178.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mp -122.11 51.9 1.32 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.476 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -54.83 -31.77 59.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.44 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.8 -67.92 1.41 Allowed Glycine 0 CA--C 1.532 1.095 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.295 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -57.68 -43.42 85.07 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -177.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.61 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -91.63 -3.47 56.33 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' A' ' 45' ' ' LEU . 61.2 t0 -24.66 84.62 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.496 0.665 . . . . 0.0 111.495 -177.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.61 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -65.74 -21.77 66.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.758 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.24 -35.14 64.63 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.088 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.523 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 48.0 mmtt -58.99 -37.95 78.04 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.523 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.9 m-20 -142.14 87.36 2.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.009 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.7 t -60.41 -44.34 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.304 0.573 . . . . 0.0 111.184 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.6 -33.13 71.09 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.869 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.05 -28.41 62.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.847 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.5 t -56.49 -44.72 81.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.15 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.604 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 84.4 m-20 -61.88 -41.54 98.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.485 0.659 . . . . 0.0 110.082 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -61.77 -39.4 91.51 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.361 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.0 t -66.47 -46.77 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.0 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.484 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.1 ppp? -64.94 -35.61 81.71 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.957 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 58' ' ' MET . 80.1 tttt -57.73 -41.11 81.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.014 -0.675 . . . . 0.0 109.949 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.04 -36.75 85.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.009 0.433 . . . . 0.0 110.302 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.476 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 84.4 mt -66.6 -36.29 82.24 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.56 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.544 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 50.7 t0 -75.12 85.44 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.301 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.84 -38.35 88.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.398 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.405 ' ND2' ' HB3' ' A' ' 66' ' ' ASP . 43.9 p-10 -90.02 0.57 57.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 -177.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.449 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 73.16 14.31 79.07 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.86 178.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.8 p30 -62.27 -33.11 74.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.876 0.369 . . . . 0.0 111.777 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.1 -7.46 62.42 Favored Glycine 0 CA--C 1.519 0.317 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 80.5 tt0 -115.35 146.55 41.44 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 178.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.511 ' O ' ' O ' ' A' ' 28' ' ' LEU . 48.1 t -104.32 132.81 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 111.662 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.8 t0 -97.92 145.54 26.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.589 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.464 ' CE2' ' CG1' ' A' ' 75' ' ' VAL . 79.2 t80 -51.14 -39.45 56.31 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.02 -41.06 82.33 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.526 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.476 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.9 mt-10 -67.16 -40.74 86.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.524 0.678 . . . . 0.0 110.128 178.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.457 ' CE2' ' CZ ' ' A' ' 15' ' ' PHE . 93.1 t80 -64.59 -41.37 96.29 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.464 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 26.1 m -62.68 -37.62 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 119.604 -0.838 . . . . 0.0 111.971 -177.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.412 ' N ' HG23 ' A' ' 75' ' ' VAL . 79.5 t -62.03 -44.7 99.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 118.957 -1.097 . . . . 0.0 110.538 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.0 tp -67.54 -41.5 84.21 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 79' ' ' ALA . 3.5 p -57.56 -34.42 47.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.282 -177.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.403 ' N ' HG13 ' A' ' 78' ' ' VAL . . . -60.42 -39.32 86.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.072 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.91 -42.12 73.76 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.296 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -64.84 -38.66 91.71 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.539 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -59.58 -40.47 87.48 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 118.883 -1.127 . . . . 0.0 109.545 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.84 -41.64 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.044 0.449 . . . . 0.0 109.93 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.9 -34.79 78.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.605 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 77.6 m -58.17 -35.17 71.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.602 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -55.69 -36.86 67.61 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.588 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 CA--C 1.516 -0.363 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.6 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.717 0.294 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.9 -34.47 76.09 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.682 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.431 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 49.0 tp -57.23 -40.07 76.81 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.31 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.1 -39.67 90.85 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.398 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.516 ' O ' ' OG1' ' B' ' 10' ' ' THR . 46.0 m -63.81 -42.4 97.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.114 178.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.17 91.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.438 0.637 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmm -52.16 -50.69 61.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.891 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -70.13 -36.18 74.61 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.246 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.516 ' OG1' ' O ' ' B' ' 6' ' ' THR . 56.9 m -58.82 -42.71 89.84 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -57.56 -47.63 81.54 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 121.861 0.839 . . . . 0.0 110.393 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.436 HG23 HD12 ' B' ' 12' ' ' ILE . 78.7 mt -64.31 -38.85 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.125 178.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -59.79 -39.97 86.73 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.634 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.433 HG21 ' N ' ' B' ' 15' ' ' PHE . 28.4 m -77.57 -47.81 25.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 119.594 -0.842 . . . . 0.0 112.557 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.46 ' CZ ' ' CE2' ' B' ' 74' ' ' TYR . 72.7 m-85 -67.47 -43.21 81.56 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 119.07 -1.052 . . . . 0.0 111.661 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -62.44 -44.32 96.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.871 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.4 74.97 Favored 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.518 ' CD2' ' C ' ' B' ' 18' ' ' HIS . 6.0 t60 -70.27 -44.19 68.93 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 120.791 0.329 . . . . 0.0 111.782 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.541 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 84.8 p -60.75 -29.93 69.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.617 -178.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.94 -33.91 76.12 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.848 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -58.26 -40.12 81.0 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.283 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.521 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.6 mt-10 -137.44 143.86 42.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 110.771 179.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.67 -165.36 52.49 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -72.31 147.93 45.87 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.077 0.465 . . . . 0.0 109.975 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.541 ' O ' ' OG ' ' B' ' 19' ' ' SER . 64.8 mttm -58.95 -32.63 69.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.711 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 75.2 m-85 -105.51 13.9 29.42 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -176.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.401 ' HZ1' ' HB2' ' B' ' 70' ' ' ASP . 36.1 tptt -123.7 132.84 53.92 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.548 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.516 ' O ' ' O ' ' B' ' 69' ' ' VAL . 56.0 mt -100.67 137.2 39.39 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 121.4 0.619 . . . . 0.0 109.95 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -101.34 157.55 16.71 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.608 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 58.5 tttt -51.52 -41.68 61.2 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 118.934 -1.106 . . . . 0.0 109.273 -178.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.79 -50.51 72.05 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.193 -0.603 . . . . 0.0 112.126 177.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.521 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -63.53 -41.48 98.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.614 -175.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.62 -42.9 99.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.204 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.532 ' HZ2' ' CD ' ' B' ' 38' ' ' GLN . 11.8 tptp -61.6 -46.26 90.61 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.833 177.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.71 -38.03 85.9 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.928 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.403 HD22 ' CG ' ' B' ' 18' ' ' HIS . 85.6 mt -66.34 -46.46 76.75 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.882 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 77.7 mt -68.44 -43.09 77.84 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 119.079 -1.048 . . . . 0.0 110.884 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.532 ' CD ' ' HZ2' ' B' ' 34' ' ' LYS . 51.4 tt0 -64.48 -42.3 95.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.025 -0.989 . . . . 0.0 113.35 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.494 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.9 t -83.51 -47.0 11.8 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.758 -0.777 . . . . 0.0 112.386 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.494 ' N ' ' CG2' ' B' ' 39' ' ' THR . 95.7 mt-10 -73.18 -33.79 65.62 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.481 -178.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mp -122.13 51.94 1.32 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.468 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -54.9 -31.72 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.435 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.78 -67.99 1.4 Allowed Glycine 0 CA--C 1.533 1.156 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.348 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -57.66 -43.3 84.88 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.612 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.6 OUTLIER -91.69 -3.54 56.16 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' B' ' 45' ' ' LEU . 61.3 t0 -24.71 84.63 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.565 0.698 . . . . 0.0 111.541 -177.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.612 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -65.78 -21.7 66.52 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.838 -1.073 . . . . 0.0 111.784 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -55.21 -35.16 64.58 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.16 -178.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.516 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 48.1 mmtt -58.99 -37.86 77.84 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.516 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.2 m-20 -142.33 87.43 2.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.964 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 39.7 t -60.38 -44.38 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.272 0.558 . . . . 0.0 111.199 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.62 -33.07 71.03 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.837 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.07 -28.36 62.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.862 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.6 t -56.49 -44.74 81.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.162 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.608 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 84.3 m-20 -61.86 -41.58 98.01 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.433 0.635 . . . . 0.0 110.073 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -61.72 -39.46 91.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.321 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.38 -46.91 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.995 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.487 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.1 ppp? -64.84 -35.7 81.96 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.038 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' B' ' 58' ' ' MET . 80.0 tttt -57.62 -41.11 80.68 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.98 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.18 -36.57 84.62 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.319 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.495 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 84.3 mt -66.69 -36.27 82.11 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.477 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.561 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 50.7 t0 -75.1 85.41 2.35 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.326 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.98 -38.23 88.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.368 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.404 ' ND2' ' HB3' ' B' ' 66' ' ' ASP . 44.0 p-10 -90.03 0.52 57.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.444 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 73.26 14.28 79.25 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.89 178.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.8 p30 -62.28 -33.13 74.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.818 0.342 . . . . 0.0 111.704 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.01 -7.37 62.57 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 80.6 tt0 -115.36 146.57 41.44 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.516 ' O ' ' O ' ' B' ' 28' ' ' LEU . 48.0 t -104.23 132.72 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.515 0.674 . . . . 0.0 111.679 -178.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.9 t0 -97.88 145.54 26.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.624 178.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.465 ' CE2' ' CG1' ' B' ' 75' ' ' VAL . 79.3 t80 -51.16 -39.44 56.35 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -57.91 -41.09 81.93 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.552 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.495 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 98.9 mt-10 -67.17 -40.72 86.65 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.175 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.46 ' CE2' ' CZ ' ' B' ' 15' ' ' PHE . 93.1 t80 -64.65 -41.33 96.19 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.465 ' CG1' ' CE2' ' B' ' 71' ' ' PHE . 26.4 m -62.82 -37.49 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 119.583 -0.847 . . . . 0.0 111.905 -177.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.417 ' N ' HG23 ' B' ' 75' ' ' VAL . 79.8 t -62.11 -44.68 99.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 118.932 -1.107 . . . . 0.0 110.451 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 26.3 tp -67.58 -41.53 83.99 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.409 HG13 ' N ' ' B' ' 79' ' ' ALA . 3.5 p -57.54 -34.38 46.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.342 -177.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.409 ' N ' HG13 ' B' ' 78' ' ' VAL . . . -60.44 -39.33 87.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.056 -179.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.88 -42.18 73.78 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.295 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 0.7 OUTLIER -64.75 -38.76 92.08 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -179.473 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -59.55 -40.48 87.4 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 118.806 -1.158 . . . . 0.0 109.574 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.85 -41.64 91.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.039 0.447 . . . . 0.0 109.883 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.76 78.65 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.682 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 76.7 m -58.14 -35.19 71.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.655 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -55.64 -36.9 67.53 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.532 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 CA--C 1.515 -0.367 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.565 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 30.6 t . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 120.556 0.217 . . . . 0.0 111.283 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -64.88 -36.98 86.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.21 -40.22 93.18 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.702 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.07 -41.18 96.15 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.561 -0.856 . . . . 0.0 108.834 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.49 ' O ' ' OG1' ' A' ' 10' ' ' THR . 49.1 m -65.94 -37.68 86.66 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.152 177.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.17 -50.05 69.67 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.918 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.5 mtm -59.04 -41.82 88.77 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 119.205 -0.998 . . . . 0.0 109.894 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.555 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 76.6 mm-40 -67.53 -36.37 80.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.837 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 6' ' ' THR . 47.9 m -61.38 -43.95 97.99 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.37 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.97 -46.65 88.32 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.72 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.419 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 91.0 mt -60.36 -46.54 94.9 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.475 179.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 84.8 m-20 -61.08 -39.33 89.48 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.606 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.24 -48.3 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.878 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.526 ' O ' ' OG ' ' A' ' 19' ' ' SER . 64.8 m-85 -70.01 -50.22 43.59 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.015 -178.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 12' ' ' ILE . 80.1 m80 -60.71 -35.41 76.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.067 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' ASN . . . -60.41 -42.34 95.77 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.796 -178.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -89.57 -28.03 19.84 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.813 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.526 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 21.2 m -59.26 -36.5 75.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.947 0.403 . . . . 0.0 110.874 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.82 -31.25 67.51 Favored Glycine 0 CA--C 1.522 0.476 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.581 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -56.66 -38.16 71.81 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.764 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.486 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.0 mt-10 -137.1 142.78 42.32 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.259 0.552 . . . . 0.0 111.725 178.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.28 -146.91 42.88 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.834 177.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -83.73 133.12 34.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.424 -0.888 . . . . 0.0 111.545 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -55.59 -37.66 68.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.788 0.804 . . . . 0.0 109.884 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.604 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 m-30 -71.51 -19.26 62.21 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.087 -1.415 . . . . 0.0 112.141 -176.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -112.08 139.04 47.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.417 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 66.8 mt -105.44 132.32 51.75 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.29 -1.323 . . . . 0.0 107.86 174.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -102.18 166.11 10.77 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 46.6 mtpt -52.19 -39.79 60.62 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 118.608 -1.237 . . . . 0.0 109.238 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -63.37 -51.9 63.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.146 -0.622 . . . . 0.0 112.488 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.486 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.8 mt-10 -64.02 -40.97 97.5 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.634 0.73 . . . . 0.0 110.949 -175.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.38 -41.95 96.42 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.268 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.604 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 1.5 tptp -60.16 -47.67 84.96 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.541 -1.208 . . . . 0.0 111.998 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -69.99 -38.02 75.88 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.083 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.7 mt -63.89 -50.64 67.94 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 119.87 -0.732 . . . . 0.0 112.347 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 37' ' ' LEU . 10.1 mp -72.67 -44.65 61.56 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 119.449 -0.901 . . . . 0.0 111.919 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.604 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 64.6 tt0 -63.9 -42.37 97.46 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -80.82 -46.56 15.17 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.886 -0.726 . . . . 0.0 112.643 -178.384 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.564 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 73.8 mm-40 -73.41 -36.28 65.98 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 118.733 -1.187 . . . . 0.0 111.305 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.5 mt -125.39 57.18 1.33 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.979 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.5 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 20.9 m -55.54 -34.3 64.59 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.999 -0.281 . . . . 0.0 111.231 -178.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.43 -66.34 1.74 Allowed Glycine 0 CA--C 1.53 0.981 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.546 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -60.04 -43.75 95.12 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -177.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.802 ' O ' ' N ' ' A' ' 47' ' ' ALA . 3.1 mm? -88.04 -7.23 57.33 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.684 ' O ' ' N ' ' A' ' 48' ' ' GLN . 52.9 t0 -25.25 69.33 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -177.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.802 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 39.38 13.0 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.714 0.292 . . . . 0.0 111.115 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.684 ' N ' ' O ' ' A' ' 46' ' ' ASP . 91.7 mt-30 59.23 38.05 23.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 -177.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 58.96 30.29 20.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.426 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -145.66 125.77 13.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.79 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.2 -40.24 88.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -87.83 4.03 46.05 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.3 -30.93 69.8 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.577 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.86 -45.0 91.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.435 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 90.1 m-20 -62.0 -42.11 98.8 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.306 179.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.13 -39.81 93.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.424 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.0 t -66.36 -47.64 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.395 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.526 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.8 ppp? -65.83 -35.95 82.11 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.351 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -56.76 -40.82 76.51 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.541 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.67 -36.58 84.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.556 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.477 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 79.5 mt -66.53 -36.96 83.97 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.763 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.473 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 52.0 t0 -76.96 88.67 3.51 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.475 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.3 -38.76 88.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.383 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.441 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 45.1 p-10 -90.8 0.31 57.49 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -177.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.462 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 72.53 14.3 77.55 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.808 178.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.64 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.7 p30 -62.47 -33.03 74.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.64 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.3 -7.79 62.2 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -178.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.48 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 84.5 tt0 -112.5 142.51 44.98 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.8 t -105.22 131.34 54.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.364 0.602 . . . . 0.0 111.083 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 58.1 t0 -96.96 144.8 26.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.459 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.594 ' CE2' ' CG1' ' A' ' 75' ' ' VAL . 77.3 t80 -50.87 -37.78 45.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -58.95 -39.2 80.92 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.614 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.477 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -68.36 -41.38 80.73 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.75 0.786 . . . . 0.0 109.962 178.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.8 -40.91 95.99 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.594 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 27.7 m -62.4 -36.58 75.5 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.881 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.09 -44.67 99.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 C-N-CA 118.929 -1.108 . . . . 0.0 110.476 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.8 tp -67.7 -42.14 82.5 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 p -57.91 -35.19 50.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 119.769 -0.773 . . . . 0.0 110.989 -177.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.451 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.82 -39.0 87.38 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.346 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.09 -41.08 74.53 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.718 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.4 mt -64.03 -38.32 90.63 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 0.6 OUTLIER -58.0 -41.2 82.55 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.139 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.87 -41.33 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.67 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.74 -30.75 71.81 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.685 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -54.34 -39.43 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.189 -179.076 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.532 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 49.7 t-20 -58.25 -38.22 76.48 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.357 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 CA--C 1.518 -0.268 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.75 -178.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.564 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 30.5 t . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 120.57 0.224 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -64.86 -37.08 86.42 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.23 -40.17 93.03 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.679 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.13 -41.24 96.37 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.484 ' O ' ' OG1' ' B' ' 10' ' ' THR . 47.6 m -65.88 -37.64 86.67 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.211 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.19 -49.99 69.86 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.967 -177.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.4 mtm -59.09 -41.78 88.89 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 119.175 -1.01 . . . . 0.0 109.871 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.557 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 76.7 mm-40 -67.59 -36.39 80.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.764 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' B' ' 6' ' ' THR . 48.1 m -61.36 -43.9 98.08 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.386 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.05 -46.64 88.24 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.659 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.407 ' O ' ' ND1' ' B' ' 16' ' ' HIS . 91.0 mt -60.32 -46.6 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.498 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.557 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 84.7 m-20 -61.02 -39.36 89.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.604 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 77.2 t -67.28 -48.24 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.897 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.519 ' O ' ' OG ' ' B' ' 19' ' ' SER . 65.2 m-85 -69.97 -50.15 44.57 Favored 'General case' 0 N--CA 1.461 0.091 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.127 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.407 ' ND1' ' O ' ' B' ' 12' ' ' ILE . 79.9 m80 -60.8 -35.48 76.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.985 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' B' ' 13' ' ' ASN . . . -60.4 -42.26 95.55 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.877 -178.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -89.58 -28.07 19.8 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.916 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.519 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 20.8 m -59.16 -36.53 75.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.379 . . . . 0.0 110.819 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.98 -31.04 67.59 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.599 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -56.71 -38.15 71.93 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.01 -0.676 . . . . 0.0 110.751 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.496 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.0 mt-10 -137.11 142.7 42.3 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.344 0.593 . . . . 0.0 111.768 178.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.29 -146.91 42.92 Favored Glycine 0 CA--C 1.527 0.797 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.798 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -83.71 133.17 34.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.436 -0.882 . . . . 0.0 111.583 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -55.6 -37.73 68.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.749 0.785 . . . . 0.0 109.821 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.2 m-30 -71.5 -19.23 62.22 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.195 -176.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -112.07 139.02 47.93 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.424 ' CD2' ' OG ' ' B' ' 19' ' ' SER . 66.9 mt -105.41 132.31 51.76 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 114.285 -1.325 . . . . 0.0 107.963 174.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -102.05 165.96 10.88 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.427 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 46.7 mtpt -51.98 -39.95 60.18 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 118.636 -1.226 . . . . 0.0 109.303 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -63.27 -51.96 63.97 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.104 -0.638 . . . . 0.0 112.481 178.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.496 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.7 mt-10 -63.98 -40.94 97.51 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.991 -175.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.42 -41.87 96.35 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.625 -1.17 . . . . 0.0 109.264 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.603 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 1.4 tptp -60.28 -47.51 85.69 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 114.591 -1.186 . . . . 0.0 112.037 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -70.03 -38.09 75.79 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.046 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 43.6 mt -63.97 -50.55 68.13 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.325 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.404 ' N ' HD12 ' B' ' 37' ' ' LEU . 10.0 mp -72.7 -44.67 61.46 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.917 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.603 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.6 tt0 -63.83 -42.39 97.63 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 0.7 OUTLIER -80.82 -46.62 15.07 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.891 -0.724 . . . . 0.0 112.58 -178.361 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.565 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 73.9 mm-40 -73.4 -36.28 66.0 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 118.762 -1.175 . . . . 0.0 111.295 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -125.43 57.32 1.33 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.942 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 20.9 m -55.64 -34.2 64.72 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.206 -178.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.54 -66.28 1.74 Allowed Glycine 0 CA--C 1.53 1.006 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.536 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -60.16 -43.58 95.66 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.81 ' O ' ' N ' ' B' ' 47' ' ' ALA . 3.1 mm? -88.18 -7.28 57.12 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.682 ' O ' ' N ' ' B' ' 48' ' ' GLN . 52.8 t0 -25.17 69.37 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -177.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.81 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . 39.31 12.98 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.713 0.292 . . . . 0.0 111.247 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.682 ' N ' ' O ' ' B' ' 46' ' ' ASP . 91.7 mt-30 59.26 38.02 23.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -177.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 58.97 30.36 20.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.661 -1.154 . . . . 0.0 109.38 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -145.8 125.76 13.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.753 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 74.9 t -65.12 -40.25 88.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -87.82 4.02 46.04 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.42 -30.78 69.84 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.56 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 78.9 t -58.87 -45.03 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.427 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 90.1 m-20 -61.89 -42.28 98.89 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.266 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.04 -39.8 93.57 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.463 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.5 t -66.48 -47.55 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.397 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.528 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.8 ppp? -65.88 -35.85 81.77 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.336 -0.546 . . . . 0.0 111.432 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -56.9 -40.7 76.75 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.577 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.62 -36.62 84.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.599 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.489 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 79.6 mt -66.6 -36.88 83.68 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.76 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.478 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 52.0 t0 -76.95 88.58 3.51 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.502 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.27 -38.69 88.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.392 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.442 ' OD1' ' OD1' ' B' ' 62' ' ' ASP . 44.8 p-10 -90.9 0.48 57.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -177.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.454 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 72.36 14.44 77.06 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.913 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.648 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.7 p30 -62.51 -33.11 74.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.648 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.35 -7.84 62.13 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -178.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.477 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 84.5 tt0 -112.5 142.38 45.13 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 42.9 t -105.18 131.41 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.463 0.649 . . . . 0.0 111.058 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 58.1 t0 -96.93 144.83 26.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.477 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.594 ' CE2' ' CG1' ' B' ' 75' ' ' VAL . 77.3 t80 -50.9 -37.88 46.45 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -58.94 -39.17 80.8 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.588 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.489 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 98.7 mt-10 -68.4 -41.34 80.62 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.712 0.768 . . . . 0.0 109.975 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.82 -40.85 95.87 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.594 ' CG1' ' CE2' ' B' ' 71' ' ' PHE . 27.5 m -62.4 -36.5 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 119.882 -0.727 . . . . 0.0 111.897 -177.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.403 ' N ' HG22 ' B' ' 75' ' ' VAL . 77.5 t -63.2 -44.68 99.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 C-N-CA 119.008 -1.077 . . . . 0.0 110.396 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.9 tp -67.71 -42.16 82.43 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.401 HG11 ' N ' ' B' ' 79' ' ' ALA . 3.6 p -57.88 -35.21 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 119.671 -0.811 . . . . 0.0 111.015 -177.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.456 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.79 -39.08 87.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.3 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.12 -40.98 74.56 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.349 -0.541 . . . . 0.0 110.701 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.7 mt -64.1 -38.28 90.48 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.565 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 0.6 OUTLIER -58.04 -41.23 82.78 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.141 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.78 -41.4 90.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.691 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.8 -30.79 71.85 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.638 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.565 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -54.26 -39.35 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.309 -179.194 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.523 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 49.6 t-20 -58.4 -38.13 76.74 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.392 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 CA--C 1.519 -0.246 0 C-N-CA 120.174 -0.611 . . . . 0.0 109.889 -179.06 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.534 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 95.4 p . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.762 0.315 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.78 -37.14 85.51 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.91 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.42 -39.97 89.32 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.55 -41.2 94.07 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 119.533 -0.867 . . . . 0.0 109.619 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.421 ' O ' ' OG1' ' A' ' 10' ' ' THR . 48.8 m -66.03 -39.28 90.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.557 178.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -47.66 77.45 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.1 mtm -57.2 -42.31 81.02 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 118.647 -1.221 . . . . 0.0 108.947 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -65.95 -37.75 86.82 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 113.744 -1.571 . . . . 0.0 109.479 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 6' ' ' THR . 47.5 m -61.56 -42.17 98.44 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.422 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.89 -44.12 86.51 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.617 0.723 . . . . 0.0 109.709 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.414 HG22 HD12 ' A' ' 12' ' ' ILE . 78.2 mt -67.0 -38.0 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.452 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -60.19 -41.14 92.31 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.584 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.406 HG21 ' N ' ' A' ' 15' ' ' PHE . 32.1 m -76.02 -38.56 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.513 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.553 ' CE2' ' CG ' ' A' ' 71' ' ' PHE . 2.5 t80 -62.6 -47.97 81.45 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.865 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -61.85 -45.07 95.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.361 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.45 -52.01 44.64 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.236 -0.586 . . . . 0.0 112.507 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -64.3 -46.12 84.99 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.537 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 89.9 p -61.8 -30.89 71.11 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.059 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.48 -33.97 83.65 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.261 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -58.38 -39.18 78.91 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.665 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.515 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -131.49 149.8 52.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.959 0.409 . . . . 0.0 111.397 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.74 -159.96 6.97 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.82 146.48 49.68 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.08 0.467 . . . . 0.0 110.354 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.537 ' O ' ' OG ' ' A' ' 19' ' ' SER . 62.5 mttt -58.72 -33.23 69.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.131 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.485 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 1.4 m-85 -102.59 11.41 37.83 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -175.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -130.85 135.39 47.67 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.782 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.7 mt -101.21 138.0 38.81 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 121.385 0.612 . . . . 0.0 110.865 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.4 m -102.97 161.5 13.7 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -52.57 -40.41 62.57 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.885 -1.126 . . . . 0.0 109.149 -178.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -61.24 -50.04 74.67 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.158 -0.617 . . . . 0.0 111.987 177.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.515 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.6 mt-10 -63.17 -40.43 97.51 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.304 -176.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.59 -41.23 98.84 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.631 -1.168 . . . . 0.0 109.165 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -60.79 -46.13 91.7 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.599 177.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.26 -37.3 85.16 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 119.918 -0.713 . . . . 0.0 111.439 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.78 -47.0 76.63 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 119.341 -0.944 . . . . 0.0 112.342 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.8 mt -68.23 -42.43 79.75 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.145 -1.022 . . . . 0.0 110.598 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.41 -41.86 98.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.953 -1.021 . . . . 0.0 112.938 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.7 t -85.04 -45.74 11.83 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.452 -178.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.532 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 78.4 mm-40 -72.18 -35.2 68.91 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.447 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.1 mt -121.86 41.62 3.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.378 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -53.81 -33.41 55.99 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.188 -179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.79 -63.7 1.73 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.486 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -58.59 -44.75 89.95 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -89.7 -3.12 58.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.22 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.531 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.2 t0 -25.63 115.4 0.05 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.759 0.79 . . . . 0.0 110.897 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.549 ' O ' ' O ' ' A' ' 50' ' ' ASP . . . -62.88 -27.88 69.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.36 -1.291 . . . . 0.0 113.377 -177.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -56.77 -39.75 74.6 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.587 -177.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -63.53 -38.47 91.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.549 ' O ' ' O ' ' A' ' 47' ' ' ALA . 87.2 m-20 -106.41 152.65 23.33 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.29 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.0 t -108.88 126.83 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 46.24 34.37 2.16 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.055 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.3 -33.5 75.66 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.046 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.4 t -58.49 -44.92 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.322 -178.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -62.4 -42.32 99.34 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.424 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -60.32 -40.0 89.04 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.254 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.2 -44.61 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.509 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.4 ppp? -67.41 -39.9 85.55 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 58' ' ' MET . 72.9 mmtt -59.7 -38.32 81.28 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 119.336 -0.946 . . . . 0.0 111.716 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.47 -39.26 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.674 -0.811 . . . . 0.0 110.472 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.509 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 81.3 mt -68.41 -35.93 78.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.159 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 97.9 m-20 -91.34 33.17 0.99 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -178.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -53.14 -33.07 50.8 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.561 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.904 HD21 ' H ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -55.79 -30.38 61.24 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.875 -179.351 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.904 ' H ' HD21 ' A' ' 64' ' ' ASN . . . 93.27 6.52 62.88 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.684 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.1 p30 -61.21 -35.08 76.21 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.684 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.76 -10.26 70.6 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.482 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 83.6 tt0 -121.67 154.86 36.28 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.8 t -101.24 129.7 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 119.404 -0.919 . . . . 0.0 111.623 -178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -88.94 131.58 35.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.229 -1.35 . . . . 0.0 110.05 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.553 ' CG ' ' CE2' ' A' ' 15' ' ' PHE . 78.2 t80 -51.29 -38.7 54.25 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.375 -179.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -58.17 -39.8 79.8 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.684 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.9 mt-10 -68.51 -38.62 81.09 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.178 0.513 . . . . 0.0 110.848 178.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -63.33 -42.45 98.98 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.8 m -65.51 -32.54 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.917 -178.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.8 t -63.1 -47.15 93.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 119.276 -0.97 . . . . 0.0 110.551 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' A' ' 77' ' ' LEU . 2.6 mm? -73.11 -39.57 65.68 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -56.42 -36.68 47.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.18 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.403 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.58 -39.49 88.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.105 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.42 -40.62 81.15 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.913 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.82 -40.75 97.37 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.294 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.2 t -61.21 -45.07 96.08 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 118.665 -1.214 . . . . 0.0 109.382 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.09 -39.59 84.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.318 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.58 74.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.742 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 75.2 m -55.69 -36.98 67.75 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.31 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -57.17 -34.73 68.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.186 -179.033 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.532 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 95.2 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.749 0.309 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.84 -37.03 85.18 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.896 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.42 -40.01 89.48 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.63 -41.17 94.35 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 119.546 -0.862 . . . . 0.0 109.544 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.433 ' O ' ' OG1' ' B' ' 10' ' ' THR . 48.9 m -65.99 -39.3 90.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.557 178.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.67 -47.71 77.44 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.0 mtm -57.17 -42.33 80.91 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 118.625 -1.23 . . . . 0.0 108.984 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -65.98 -37.7 86.65 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 113.638 -1.619 . . . . 0.0 109.48 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' B' ' 6' ' ' THR . 47.0 m -61.5 -42.2 98.44 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.419 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.96 -44.01 86.77 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.675 0.75 . . . . 0.0 109.714 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.466 HD12 HG22 ' B' ' 12' ' ' ILE . 78.4 mt -67.05 -38.0 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.41 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -60.21 -41.19 92.52 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.565 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.411 HG21 ' N ' ' B' ' 15' ' ' PHE . 32.2 m -75.92 -38.59 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 C-N-CA 119.924 -0.711 . . . . 0.0 110.557 179.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.558 ' CE2' ' CG ' ' B' ' 71' ' ' PHE . 2.6 t80 -62.56 -48.03 81.26 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.887 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -61.78 -45.08 95.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.399 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.42 -52.08 44.02 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.241 -0.584 . . . . 0.0 112.431 -178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -64.24 -46.19 84.89 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.525 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 89.6 p -61.83 -30.9 71.14 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.024 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.43 -34.12 84.02 Favored Glycine 0 CA--C 1.526 0.727 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.27 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -58.2 -39.26 78.52 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.706 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.508 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.8 mm-40 -131.49 149.8 52.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.957 0.408 . . . . 0.0 111.367 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.7 -159.95 6.91 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.79 146.55 49.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.07 0.462 . . . . 0.0 110.355 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.525 ' O ' ' OG ' ' B' ' 19' ' ' SER . 62.5 mttt -58.77 -33.33 70.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.093 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.429 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 1.4 m-85 -102.49 11.37 38.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -175.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -130.91 135.41 47.65 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.693 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.7 mt -101.21 137.94 38.9 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.389 0.614 . . . . 0.0 110.894 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 54.7 m -102.91 161.54 13.67 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -52.55 -40.44 62.55 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.187 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -61.31 -49.99 74.76 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.982 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.508 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.6 mt-10 -63.14 -40.51 97.79 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.249 -176.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.51 -41.17 98.65 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.259 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -60.81 -46.11 91.82 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.628 177.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.32 -37.21 84.86 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 119.826 -0.75 . . . . 0.0 111.472 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.96 -46.75 76.97 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 119.201 -1.0 . . . . 0.0 112.381 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 64.4 mt -68.26 -42.45 79.58 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 119.107 -1.037 . . . . 0.0 110.605 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.37 -41.94 98.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.892 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.7 t -84.93 -45.81 11.86 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.141 -0.624 . . . . 0.0 112.465 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.534 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 78.3 mm-40 -72.22 -35.1 68.78 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.296 -0.562 . . . . 0.0 111.454 -178.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 76.4 mt -121.8 41.53 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.403 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -53.94 -33.31 56.42 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.193 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.82 -63.73 1.73 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.46 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -58.5 -44.74 89.56 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -89.84 -3.06 58.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.098 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.533 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.2 t0 -25.63 115.45 0.05 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.723 0.773 . . . . 0.0 110.855 -177.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.565 ' O ' ' O ' ' B' ' 50' ' ' ASP . . . -62.92 -27.88 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.365 -1.288 . . . . 0.0 113.44 -177.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -56.76 -39.76 74.61 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.374 -0.93 . . . . 0.0 111.592 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -63.6 -38.28 90.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.565 ' O ' ' O ' ' B' ' 47' ' ' ALA . 87.3 m-20 -106.65 152.68 23.44 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.268 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.9 t -108.78 126.78 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 46.18 34.44 2.14 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.071 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.28 -33.49 75.62 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.143 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.7 t -58.49 -44.91 90.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.362 -178.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.31 -42.39 99.32 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.441 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -60.34 -39.94 88.92 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.895 -0.722 . . . . 0.0 110.227 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.6 t -67.27 -44.61 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.515 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.4 ppp? -67.43 -39.85 85.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' B' ' 58' ' ' MET . 72.9 mmtt -59.73 -38.26 81.23 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.282 -0.967 . . . . 0.0 111.748 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.49 -39.31 93.56 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.403 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.508 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 81.3 mt -68.27 -35.98 78.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.157 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.483 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 97.9 m-20 -91.46 33.31 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -53.21 -33.01 50.98 Favored 'General case' 0 CA--C 1.503 -0.838 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.574 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.891 HD21 ' H ' ' B' ' 65' ' ' GLY . 0.0 OUTLIER -55.83 -30.34 61.27 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.884 -179.4 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.891 ' H ' HD21 ' B' ' 64' ' ' ASN . . . 93.28 6.46 62.9 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.676 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.1 p30 -61.09 -35.06 75.97 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.676 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.7 -10.38 70.68 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.483 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 83.7 tt0 -121.63 155.0 36.04 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.0 t -101.38 129.74 52.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 119.351 -0.94 . . . . 0.0 111.55 -178.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -88.9 131.59 35.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.207 -1.36 . . . . 0.0 110.087 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.558 ' CG ' ' CE2' ' B' ' 15' ' ' PHE . 78.2 t80 -51.23 -38.77 54.38 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.384 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -58.18 -39.77 79.78 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.691 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.508 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 99.0 mt-10 -68.49 -38.64 81.18 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.174 0.511 . . . . 0.0 110.803 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -63.3 -42.49 99.04 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 32.8 m -65.5 -32.57 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.915 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.01 -47.23 93.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 119.382 -0.927 . . . . 0.0 110.538 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' B' ' 77' ' ' LEU . 2.5 mm? -73.14 -39.51 65.65 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -56.45 -36.66 48.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 C-N-CA 119.164 -1.014 . . . . 0.0 111.152 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.411 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.68 -39.34 88.07 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.137 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.71 81.28 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.936 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.9 mt -63.66 -40.87 97.92 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.411 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.2 t -61.22 -45.05 96.17 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 118.607 -1.237 . . . . 0.0 109.33 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.07 -39.54 84.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.302 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.83 -33.49 74.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.786 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 75.4 m -55.76 -36.87 67.79 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.36 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -57.31 -34.64 68.93 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.212 -179.059 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.952 0.406 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.42 -34.33 75.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.763 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.459 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 41.2 tp -57.85 -41.15 81.8 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.68 -40.85 93.68 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.48 -0.888 . . . . 0.0 108.978 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' A' ' 10' ' ' THR . 48.8 m -65.51 -37.62 87.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.115 177.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.13 73.85 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.85 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.1 mtm -59.17 -40.92 87.17 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 118.711 -1.196 . . . . 0.0 109.777 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.581 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.9 mt-10 -67.15 -37.41 83.74 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.826 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 6' ' ' THR . 46.7 m -62.2 -43.67 98.31 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.72 -44.57 96.66 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.425 ' CD1' HD22 ' B' ' 86' ' ' ASN . 78.6 mt -65.66 -43.61 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.073 179.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.581 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 85.4 m-20 -60.39 -40.14 89.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.1 t -66.54 -42.84 90.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 121.508 0.67 . . . . 0.0 109.684 178.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.452 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 4.6 t80 -62.07 -51.81 66.46 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.592 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.51 -38.2 89.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.654 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.3 95.89 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.588 ' HD1' ' CD2' ' A' ' 36' ' ' LEU . 63.9 m170 -99.5 -28.29 13.31 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.491 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 23.3 t -58.47 -37.82 76.27 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.274 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.73 -28.45 65.58 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-N 115.879 -0.6 . . . . 0.0 113.154 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -56.7 -40.26 75.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.434 0.617 . . . . 0.0 112.161 -177.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.526 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.7 mm-40 -140.53 138.91 34.9 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.077 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.0 -163.81 53.83 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -72.74 144.33 47.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.75 0.309 . . . . 0.0 110.369 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' OG ' ' A' ' 19' ' ' SER . 86.5 mttt -59.42 -38.4 80.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 122.363 1.078 . . . . 0.0 108.782 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.505 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 69.5 m-85 -69.53 -25.37 63.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 112.965 -1.925 . . . . 0.0 113.208 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CB ' ' OE2' ' A' ' 68' ' ' GLU . 16.0 mmtm -114.04 141.98 46.76 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.1 mt -100.47 139.72 35.76 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.903 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.7 t -100.54 156.16 17.44 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -50.77 -38.92 50.8 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.195 -1.002 . . . . 0.0 108.835 -178.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -61.66 -51.58 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.108 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.526 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.9 mt-10 -65.01 -40.95 95.63 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.452 -176.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.19 -42.87 96.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.498 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.597 ' HZ3' ' NE2' ' A' ' 38' ' ' GLN . 9.6 tptp -60.87 -46.69 89.6 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.198 178.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.84 -37.54 82.02 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.556 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.588 ' CD2' ' HD1' ' A' ' 18' ' ' HIS . 19.0 mt -64.79 -47.99 76.07 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 119.417 -0.913 . . . . 0.0 112.067 178.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.438 HD11 ' N ' ' A' ' 37' ' ' LEU . 7.0 mp -71.69 -47.41 54.28 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.407 -0.917 . . . . 0.0 111.852 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.597 ' NE2' ' HZ3' ' A' ' 34' ' ' LYS . 51.6 tt0 -63.2 -41.98 99.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.656 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.431 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -81.44 -45.5 15.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.876 -0.73 . . . . 0.0 112.749 -178.684 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' OE1' ' CD2' ' B' ' 4' ' ' LEU . 95.6 mt-10 -71.87 -35.51 69.8 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 119.18 -1.008 . . . . 0.0 111.785 -178.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -125.23 61.48 1.2 Allowed 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.825 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 m -55.02 -32.74 62.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.239 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.71 -69.87 1.36 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.489 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -57.77 -41.74 82.61 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.497 ' O ' ' C ' ' A' ' 46' ' ' ASP . 3.6 mp -92.06 -3.08 56.23 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.7 t0 -26.3 97.48 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.278 0.561 . . . . 0.0 111.616 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' ASP . . . -65.28 -21.77 66.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.974 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -50.98 -36.63 40.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.362 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.5 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 73.8 mmtt -58.03 -37.41 74.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 89.9 m-20 -140.55 98.57 3.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.943 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.1 t -62.37 -40.9 89.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.439 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 49.0 p30 -89.14 5.36 44.98 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.15 -32.26 73.61 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.986 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.9 -45.05 95.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.436 -178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -62.09 -42.21 98.98 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.606 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -62.3 -39.93 94.61 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.033 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.8 t -66.39 -45.9 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.103 -179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.445 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 2.6 ppp? -66.95 -36.25 81.8 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.343 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 58' ' ' MET . 81.6 tttt -58.61 -41.49 85.99 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.393 -178.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.15 -39.04 92.45 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.029 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.6 mt -68.12 -35.74 78.62 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 120.971 0.415 . . . . 0.0 110.819 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 98.7 m-20 -91.43 32.17 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.976 -179.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.99 -29.87 44.84 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.409 176.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.516 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 13.1 m120 -51.75 -32.95 32.78 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.48 -1.236 . . . . 0.0 109.404 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.07 1.81 61.12 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.7 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.0 p30 -61.64 -35.98 79.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.765 -0.718 . . . . 0.0 111.531 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.7 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 90.01 -6.65 82.63 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 79.8 tt0 -122.77 148.32 45.49 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.75 128.67 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 119.804 -0.758 . . . . 0.0 110.665 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -87.36 134.22 33.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.475 -1.238 . . . . 0.0 110.666 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.452 ' CD1' ' CE2' ' A' ' 15' ' ' PHE . 88.6 t80 -50.45 -39.17 46.97 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.914 -0.714 . . . . 0.0 110.296 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -55.98 -41.0 74.11 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.519 -0.873 . . . . 0.0 109.543 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.516 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.4 mt-10 -68.11 -39.74 82.71 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.093 0.473 . . . . 0.0 110.8 178.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 78' ' ' VAL . 85.8 t80 -65.27 -43.37 91.48 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.5 p -56.68 -36.41 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.749 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.3 t -66.71 -41.39 87.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.056 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 tp -61.3 -42.48 98.72 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.355 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.446 ' CG1' ' CZ ' ' A' ' 74' ' ' TYR . 23.0 m -71.55 -33.68 50.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 119.203 -0.999 . . . . 0.0 110.544 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.85 93.13 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.684 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.52 76.48 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.1 tp -60.7 -38.63 85.65 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.67 -178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.6 p -58.17 -40.19 80.83 Favored 'General case' 0 CA--C 1.501 -0.927 0 C-N-CA 119.547 -0.861 . . . . 0.0 109.018 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.1 t -63.84 -41.08 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.293 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.129 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.48 -34.16 77.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.58 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -34.36 73.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.961 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.435 HD22 ' CD1' ' B' ' 12' ' ' ILE . 24.5 m120 -56.08 -34.12 65.67 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.492 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 CA--C 1.516 -0.349 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.833 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 120.91 0.386 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.36 -34.43 75.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.775 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.455 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 41.2 tp -57.81 -41.07 81.44 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.71 -40.84 93.77 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.008 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' B' ' 10' ' ' THR . 49.8 m -65.61 -37.46 86.67 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.122 177.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.08 -49.05 73.8 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.836 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 56.2 mtm -59.17 -40.96 87.26 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 118.711 -1.196 . . . . 0.0 109.759 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.583 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.8 mt-10 -67.14 -37.37 83.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.837 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' B' ' 6' ' ' THR . 47.3 m -62.22 -43.68 98.28 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.76 -44.53 96.71 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.441 HD11 HG22 ' B' ' 12' ' ' ILE . 78.6 mt -65.65 -43.62 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.026 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.583 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 85.5 m-20 -60.43 -40.14 89.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 70.7 t -66.56 -42.84 90.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.472 0.654 . . . . 0.0 109.672 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.446 ' CE2' ' CD1' ' B' ' 71' ' ' PHE . 4.6 t80 -62.11 -51.78 66.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.606 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.45 -38.2 88.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.701 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.26 95.96 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -176.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.587 ' HD1' ' CD2' ' B' ' 36' ' ' LEU . 63.7 m170 -99.49 -28.37 13.28 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.491 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.3 t -58.46 -37.8 76.21 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.256 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.75 -28.44 65.61 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-N 115.893 -0.594 . . . . 0.0 113.122 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -56.69 -40.27 75.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 117.454 0.627 . . . . 0.0 112.119 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.538 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.7 mm-40 -140.54 138.92 34.89 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.226 -0.589 . . . . 0.0 111.06 178.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.01 -163.77 53.85 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.83 144.31 47.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.766 0.317 . . . . 0.0 110.355 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.491 ' O ' ' OG ' ' B' ' 19' ' ' SER . 86.4 mttt -59.36 -38.37 80.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 122.421 1.105 . . . . 0.0 108.822 179.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.512 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 69.3 m-85 -69.57 -25.47 64.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 112.927 -1.942 . . . . 0.0 113.108 -177.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.467 ' CB ' ' OE2' ' B' ' 68' ' ' GLU . 16.1 mmtm -114.02 141.98 46.75 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.4 mt -100.44 139.75 35.67 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.946 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.7 t -100.58 156.18 17.45 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -50.85 -38.89 51.91 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.145 -1.022 . . . . 0.0 108.812 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -61.65 -51.59 67.85 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 119.915 -0.714 . . . . 0.0 112.139 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.538 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.9 mt-10 -64.95 -41.05 95.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.411 -176.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.18 -42.82 96.52 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.553 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.598 ' HZ3' ' NE2' ' B' ' 38' ' ' GLN . 9.6 tptp -60.9 -46.67 89.7 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 114.552 -1.204 . . . . 0.0 112.209 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.83 -37.51 82.0 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.613 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.587 ' CD2' ' HD1' ' B' ' 18' ' ' HIS . 19.0 mt -64.86 -47.94 76.1 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 119.402 -0.919 . . . . 0.0 112.08 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.437 HD11 ' N ' ' B' ' 37' ' ' LEU . 7.0 mp -71.7 -47.38 54.46 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.369 -0.932 . . . . 0.0 111.888 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.598 ' NE2' ' HZ3' ' B' ' 34' ' ' LYS . 51.6 tt0 -63.18 -42.08 99.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.637 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 0.7 OUTLIER -81.25 -45.64 15.98 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.906 -0.718 . . . . 0.0 112.774 -178.674 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.459 ' OE1' ' CD2' ' A' ' 4' ' ' LEU . 95.7 mt-10 -71.88 -35.5 69.78 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 119.138 -1.025 . . . . 0.0 111.747 -178.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -125.24 61.51 1.2 Allowed 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.878 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.9 m -55.01 -32.71 62.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.25 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.76 -69.87 1.36 Allowed Glycine 0 CA--C 1.531 1.088 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.415 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -57.86 -41.6 82.77 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.499 ' O ' ' C ' ' B' ' 46' ' ' ASP . 3.6 mp -92.19 -3.06 56.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.7 t0 -26.24 97.46 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.351 0.596 . . . . 0.0 111.627 -178.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' B' ' 50' ' ' ASP . . . -65.29 -21.77 66.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.051 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -50.94 -36.67 39.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.347 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.507 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 73.8 mmtt -58.01 -37.44 74.29 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.507 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 89.9 m-20 -140.56 98.57 3.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.857 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.32 -40.95 89.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' B' ' 52' ' ' ASP . 48.9 p30 -89.08 5.26 45.3 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.04 -32.36 73.71 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.995 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.94 -44.96 95.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.421 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -62.09 -42.3 99.07 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.166 -0.613 . . . . 0.0 110.547 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -62.28 -39.89 94.42 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.082 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.6 t -66.41 -45.88 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.111 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.438 ' HG3' ' N ' ' B' ' 59' ' ' LYS . 2.6 ppp? -66.96 -36.16 81.59 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.36 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' B' ' 58' ' ' MET . 81.6 tttt -58.66 -41.51 86.27 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.431 -179.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.12 -39.03 92.5 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.063 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 46.8 mt -68.08 -35.79 78.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.929 0.395 . . . . 0.0 110.839 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 98.6 m-20 -91.42 32.23 1.08 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.012 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.02 -29.87 45.25 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.392 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.513 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 13.2 m120 -51.8 -32.91 33.22 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.38 -177.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.04 1.82 61.15 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 108.755 -1.738 . . . . 0.0 108.755 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.695 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.1 p30 -61.65 -35.98 79.51 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.784 -0.708 . . . . 0.0 111.478 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.695 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 89.97 -6.67 82.65 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 79.9 tt0 -122.77 148.26 45.56 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.4 t -100.72 128.69 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.707 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -87.39 134.23 33.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.676 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.446 ' CD1' ' CE2' ' B' ' 15' ' ' PHE . 88.7 t80 -50.45 -39.23 47.14 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.941 -0.703 . . . . 0.0 110.282 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -55.9 -41.03 73.9 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.542 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.513 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.4 mt-10 -68.1 -39.78 82.74 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.068 0.461 . . . . 0.0 110.764 178.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.444 ' CZ ' ' CG1' ' B' ' 78' ' ' VAL . 85.9 t80 -65.25 -43.41 91.44 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -179.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 5.5 p -56.6 -36.5 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.709 -178.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 70.8 t -66.61 -41.5 88.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.124 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.29 -42.44 98.64 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.391 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.444 ' CG1' ' CZ ' ' B' ' 74' ' ' TYR . 23.1 m -71.52 -33.65 50.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.6 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.86 93.06 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.688 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.17 -34.52 76.46 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 26.1 tp -60.69 -38.57 85.42 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.718 -178.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.6 p -58.2 -40.2 80.98 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 119.564 -0.854 . . . . 0.0 109.013 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.88 -40.96 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.106 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.58 -34.12 77.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.537 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -34.31 73.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.955 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.425 HD22 ' CD1' ' A' ' 12' ' ' ILE . 24.6 m120 -56.08 -34.07 65.64 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.519 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 CA--C 1.515 -0.382 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.533 -179.89 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.725 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p -69.67 161.87 28.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.703 0.287 . . . . 0.0 110.582 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -62.1 -35.61 79.24 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.686 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.423 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 33.5 tp -58.67 -39.37 80.48 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.794 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.4 -40.63 87.23 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 119.709 -0.796 . . . . 0.0 109.117 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.0 m -65.29 -39.11 92.11 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.181 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.53 93.39 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.682 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.3 mtm -57.99 -40.3 80.37 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 118.573 -1.251 . . . . 0.0 108.375 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.594 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.7 mt-10 -66.7 -36.16 81.85 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.234 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.2 m -61.11 -43.41 98.93 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.364 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.37 -45.61 92.89 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.46 0.648 . . . . 0.0 111.07 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.7 mt -68.14 -41.41 84.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.973 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.594 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 86.7 m-20 -60.1 -40.57 90.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.472 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 m -74.9 -38.02 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.619 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CE2' ' O ' ' A' ' 25' ' ' LYS . 90.5 t80 -60.29 -45.31 93.81 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.195 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.92 -44.32 91.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.467 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.04 -51.65 36.78 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.467 ' CG ' ' CD2' ' A' ' 36' ' ' LEU . 90.9 m-70 -65.47 -48.42 72.74 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.3 m -59.55 -34.97 73.35 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.44 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.34 -27.35 60.47 Favored Glycine 0 CA--C 1.524 0.595 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.656 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -55.76 -38.94 70.53 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 119.996 -0.681 . . . . 0.0 110.887 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.487 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 94.5 mt-10 -140.06 142.83 36.14 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.378 0.609 . . . . 0.0 111.911 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.81 -148.24 45.57 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.437 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -83.51 133.24 34.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.53 -0.835 . . . . 0.0 111.28 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.582 ' O ' ' CE2' ' A' ' 15' ' ' PHE . 67.6 mttm -56.28 -38.86 71.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.738 0.78 . . . . 0.0 109.363 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.579 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 m-30 -71.56 -19.33 62.17 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.875 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.605 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 39.2 tptt -112.29 134.18 53.98 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.404 HD21 ' N ' ' A' ' 29' ' ' SER . 0.6 OUTLIER -101.83 130.63 48.32 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.755 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.404 ' N ' HD21 ' A' ' 28' ' ' LEU . 82.8 p -100.52 160.01 14.69 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -56.4 -40.65 75.0 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.215 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' NZ ' ' OE2' ' A' ' 22' ' ' GLU . 81.2 tttt -60.84 -49.15 78.64 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 119.073 -1.051 . . . . 0.0 110.589 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.487 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 98.4 mt-10 -62.61 -38.38 89.95 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.435 -177.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.29 -44.91 95.44 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.221 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.591 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 4.9 tptp -60.31 -42.28 95.22 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.812 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -70.26 -38.88 75.21 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.384 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD2' ' CG ' ' A' ' 18' ' ' HIS . 93.6 mt -66.36 -48.15 71.12 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.53 -0.868 . . . . 0.0 112.006 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.7 mt -68.85 -44.07 74.12 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 118.94 -1.104 . . . . 0.0 110.792 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.591 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.3 tt0 -64.38 -42.24 96.25 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.486 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.4 t -83.46 -46.62 12.28 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.419 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.486 ' N ' ' CG2' ' A' ' 39' ' ' THR . 96.5 mt-10 -73.16 -34.23 65.92 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 119.771 -0.772 . . . . 0.0 111.637 -178.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mp -123.23 48.16 1.87 Allowed 'General case' 0 C--O 1.236 0.392 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.613 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.496 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 19.8 m -54.29 -33.72 59.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.898 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.77 -65.88 1.53 Allowed Glycine 0 CA--C 1.531 1.085 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.461 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -58.45 -43.56 88.87 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.677 ' O ' ' N ' ' A' ' 47' ' ' ALA . 8.8 mp -96.36 -1.33 47.94 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.542 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 56.0 p30 -18.92 76.56 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.977 0.894 . . . . 0.0 112.668 -177.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -65.44 -20.15 66.24 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.474 -1.239 . . . . 0.0 111.347 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -54.3 -35.94 63.17 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.149 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 13.4 mtpp -59.54 -35.52 74.36 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.81 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.8 m-20 -140.08 91.32 2.45 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.658 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.51 -39.5 83.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.035 0.445 . . . . 0.0 110.553 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -55.89 -33.14 64.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.88 -28.88 64.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.089 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.71 -44.18 80.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.54 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 58' ' ' MET . 90.2 m-20 -61.63 -40.79 96.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.492 0.663 . . . . 0.0 110.196 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -60.74 -39.94 90.53 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.033 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.9 t -67.29 -44.92 87.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.077 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.532 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 ppp? -62.99 -37.14 85.97 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 58' ' ' MET . 49.0 tptt -57.74 -41.47 81.95 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.239 -178.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.99 -37.13 85.15 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.574 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.8 mt -67.02 -37.95 85.06 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.493 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 39.8 t0 -78.32 86.12 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.135 -1.026 . . . . 0.0 112.138 -178.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -66.68 -38.85 87.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.881 0.848 . . . . 0.0 109.323 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -59.08 -36.93 75.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.048 -1.433 . . . . 0.0 112.064 -178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.6 4.07 70.7 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 108.255 -1.938 . . . . 0.0 108.255 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.664 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.8 p30 -62.17 -33.11 73.89 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 114.228 -0.986 . . . . 0.0 112.48 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.664 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.83 -5.17 59.66 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 82.8 tt0 -117.33 145.29 44.12 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.9 t -104.72 134.47 46.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.53 0.681 . . . . 0.0 112.8 -176.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.605 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 82.0 m-20 -99.62 152.27 20.24 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.985 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.512 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 77.6 t80 -54.84 -39.59 68.73 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.043 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -56.29 -40.59 74.55 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.199 -0.601 . . . . 0.0 109.88 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.67 -40.22 84.44 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.414 0.626 . . . . 0.0 110.237 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -63.67 -42.51 98.03 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.442 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 29.9 m -63.83 -36.29 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.009 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.0 t -63.44 -45.37 98.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 119.113 -1.035 . . . . 0.0 110.575 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.7 tp -67.82 -40.84 83.75 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 79' ' ' ALA . 3.6 p -57.43 -35.46 49.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.401 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.422 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.53 -38.73 85.38 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.818 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.67 -41.43 75.51 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.84 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.1 mt -63.31 -39.01 93.38 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.564 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -59.38 -42.93 92.82 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 118.746 -1.181 . . . . 0.0 109.779 -179.46 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.91 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.875 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.71 -31.62 72.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.051 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.564 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -57.15 -35.7 69.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.407 -179.847 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.444 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 86.3 m-20 -56.64 -34.46 67.32 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.712 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -54.63 -38.98 67.49 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.084 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -60.06 -44.4 94.74 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.4 -41.14 88.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.073 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.43 ' N ' ' CD1' ' A' ' 90' ' ' TRP . 39.5 m0 -55.16 -33.86 63.32 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.643 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.65 -33.4 66.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.572 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -55.07 -36.63 65.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.603 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.586 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.9 p -69.7 161.85 28.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.666 0.269 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -62.05 -35.52 78.86 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.773 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.422 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 33.8 tp -58.76 -39.31 80.6 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.806 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.44 -40.57 87.21 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 119.691 -0.803 . . . . 0.0 109.183 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -65.23 -39.21 92.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.165 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.46 93.56 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.725 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 54.3 mtm -57.85 -40.41 80.07 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 118.596 -1.242 . . . . 0.0 108.443 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.585 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.7 mt-10 -66.63 -36.25 82.12 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.204 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.8 m -60.99 -43.53 98.73 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.353 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.27 -45.76 92.18 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.527 0.68 . . . . 0.0 111.016 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.04 -41.35 84.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.086 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 86.7 m-20 -60.14 -40.56 90.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.431 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.41 HG21 ' N ' ' B' ' 15' ' ' PHE . 23.0 m -74.96 -38.0 42.42 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.574 178.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' B' ' 25' ' ' LYS . 90.3 t80 -60.24 -45.28 93.81 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.97 -44.25 91.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.49 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.09 -51.6 37.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.471 ' CG ' ' CD2' ' B' ' 36' ' ' LEU . 90.8 m-70 -65.45 -48.5 72.49 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.9 m -59.51 -35.0 73.33 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.44 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.32 -27.35 60.4 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.651 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -55.71 -39.05 70.54 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.894 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.482 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 94.6 mt-10 -139.94 142.88 36.37 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.904 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.76 -148.18 45.49 Favored Glycine 0 CA--C 1.524 0.618 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.374 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -83.57 133.19 34.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.484 -0.858 . . . . 0.0 111.26 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.585 ' O ' ' CE2' ' B' ' 15' ' ' PHE . 67.6 mttm -56.17 -38.93 71.57 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.829 0.823 . . . . 0.0 109.376 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.2 m-30 -71.51 -19.37 62.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 113.947 -1.479 . . . . 0.0 111.908 -176.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.608 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 39.1 tptt -112.25 134.08 54.0 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.402 HD21 ' N ' ' B' ' 29' ' ' SER . 0.6 OUTLIER -101.83 130.58 48.31 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -178.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.402 ' N ' HD21 ' B' ' 28' ' ' LEU . 82.7 p -100.44 160.06 14.64 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -56.45 -40.68 75.22 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.196 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.436 ' NZ ' ' OE2' ' B' ' 22' ' ' GLU . 81.2 tttt -60.79 -49.19 78.47 Favored 'General case' 0 CA--C 1.507 -0.677 0 C-N-CA 119.071 -1.052 . . . . 0.0 110.639 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.482 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 98.4 mt-10 -62.64 -38.21 89.37 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.466 -177.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 65.4 tp -62.3 -44.93 95.39 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.549 0.69 . . . . 0.0 111.287 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.592 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 4.9 tptp -60.32 -42.26 95.25 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.808 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -70.25 -38.9 75.25 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.408 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.471 ' CD2' ' CG ' ' B' ' 18' ' ' HIS . 93.7 mt -66.38 -48.13 71.15 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 119.468 -0.893 . . . . 0.0 111.999 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.8 -44.09 74.29 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.01 -1.076 . . . . 0.0 110.761 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.592 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.4 tt0 -64.43 -42.22 96.14 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.4 t -83.51 -46.59 12.28 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.417 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.484 ' N ' ' CG2' ' B' ' 39' ' ' THR . 96.5 mt-10 -73.18 -34.22 65.88 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.657 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mp -123.29 48.26 1.86 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.666 0.27 . . . . 0.0 110.619 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.507 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 19.9 m -54.5 -33.51 59.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.901 -178.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.8 -65.83 1.53 Allowed Glycine 0 CA--C 1.53 1.011 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.53 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -58.44 -43.63 88.85 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.675 ' O ' ' N ' ' B' ' 47' ' ' ALA . 8.8 mp -96.36 -1.38 47.83 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.54 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 56.2 p30 -18.9 76.67 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.95 0.881 . . . . 0.0 112.611 -177.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.675 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -65.55 -20.03 66.16 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-N 114.424 -1.262 . . . . 0.0 111.413 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -54.34 -35.93 63.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.093 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.503 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 13.4 mtpp -59.55 -35.46 74.28 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.822 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.503 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 91.7 m-20 -140.18 91.39 2.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.651 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.64 -39.53 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.05 0.453 . . . . 0.0 110.499 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -55.71 -33.28 64.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.91 -28.8 64.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.133 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.75 -44.09 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.628 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' B' ' 58' ' ' MET . 90.0 m-20 -61.76 -40.64 95.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.497 0.665 . . . . 0.0 110.275 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -60.77 -39.88 90.47 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.053 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.39 -44.84 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.028 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.537 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -63.0 -37.24 86.4 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.485 ' N ' ' HG3' ' B' ' 58' ' ' MET . 49.0 tptt -57.71 -41.45 81.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.262 -178.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.92 -37.15 85.31 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.656 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.07 -37.91 84.84 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.474 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 39.9 t0 -78.31 86.12 4.41 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.167 -1.013 . . . . 0.0 112.137 -178.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -66.68 -38.85 87.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.85 0.833 . . . . 0.0 109.274 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -59.14 -36.93 76.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.059 -1.428 . . . . 0.0 112.116 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.62 4.12 70.59 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 108.193 -1.963 . . . . 0.0 108.193 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.659 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.0 p30 -62.27 -33.03 73.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 114.337 -0.932 . . . . 0.0 112.472 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.659 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.85 -5.21 59.64 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.419 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 82.6 tt0 -117.28 145.29 44.06 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.2 t -104.76 134.51 45.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.51 0.671 . . . . 0.0 112.803 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.608 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 81.9 m-20 -99.62 152.32 20.19 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.931 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.508 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 77.9 t80 -54.83 -39.66 68.79 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.072 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -56.23 -40.66 74.46 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.875 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.64 -40.26 84.57 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.429 0.633 . . . . 0.0 110.238 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -63.68 -42.41 98.04 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.442 ' CG1' ' CE2' ' B' ' 71' ' ' PHE . 30.3 m -63.9 -36.3 76.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.433 -0.507 . . . . 0.0 112.019 -177.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.1 t -63.5 -45.28 98.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 C-N-CA 119.138 -1.025 . . . . 0.0 110.561 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.92 -40.9 83.31 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 p -57.38 -35.51 49.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.459 -177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.435 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.45 -38.76 85.19 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.475 -0.49 . . . . 0.0 109.868 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.55 -41.49 75.83 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.888 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.1 mt -63.37 -39.03 93.41 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.561 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.0 OUTLIER -59.29 -42.99 92.57 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 118.782 -1.167 . . . . 0.0 109.797 -179.539 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 93.6 t -64.01 -40.44 89.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.829 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.82 -31.52 72.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.037 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -57.13 -35.77 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.462 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.439 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 86.0 m-20 -56.49 -34.59 67.08 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.739 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -54.69 -38.96 67.63 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.062 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.01 -44.44 94.58 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -59.5 -41.13 89.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.982 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.441 ' N ' ' CD1' ' B' ' 90' ' ' TRP . 39.3 m0 -55.09 -33.97 63.25 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.64 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.58 -33.33 66.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -55.08 -36.75 65.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.537 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.582 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.536 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 40.8 t -118.54 136.38 53.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.561 0.219 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -64.59 -38.39 90.84 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.528 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.9 -40.03 94.05 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.905 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.58 -40.63 95.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.424 ' O ' ' OG1' ' A' ' 10' ' ' THR . 37.5 m -64.84 -37.96 89.38 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.636 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.53 -49.25 72.0 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.593 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.4 mtm -59.41 -41.03 88.52 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.496 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.592 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.9 mt-10 -66.98 -37.49 84.33 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.971 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 6' ' ' THR . 45.3 m -62.06 -45.17 94.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.888 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.76 -47.47 86.16 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 119.626 -0.829 . . . . 0.0 110.74 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.408 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 86.7 mt -60.96 -42.79 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.42 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 86.9 m-20 -61.96 -39.79 93.33 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.509 -0.477 . . . . 0.0 111.857 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -69.36 -51.19 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.988 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.524 ' O ' ' OG ' ' A' ' 19' ' ' SER . 81.3 m-85 -68.46 -44.99 73.64 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.7 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.408 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 84.5 t60 -61.31 -39.7 91.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.063 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 13' ' ' ASN . . . -61.08 -42.3 98.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.732 -177.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -88.1 -26.99 22.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.524 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 19.3 m -57.96 -37.0 73.37 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.772 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.53 -30.09 67.86 Favored Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.997 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -56.65 -38.1 71.7 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.202 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -135.43 142.75 45.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.325 0.583 . . . . 0.0 111.875 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.38 -142.93 42.18 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 115.428 -0.806 . . . . 0.0 113.211 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -83.92 132.72 34.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.417 -0.891 . . . . 0.0 111.969 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -56.0 -38.16 70.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.646 0.736 . . . . 0.0 110.291 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.583 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 m-30 -70.9 -21.23 62.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.368 -1.287 . . . . 0.0 112.302 -176.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -112.3 140.05 47.34 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.3 mt -102.1 133.78 46.4 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 174.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -101.51 163.19 12.39 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.588 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 76.6 tttt -51.6 -39.77 58.58 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.227 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -62.47 -52.09 64.9 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.015 -0.674 . . . . 0.0 112.338 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.99 -41.12 97.61 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.03 -176.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.27 -41.86 96.72 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.584 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.612 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 2.8 tptp -61.07 -46.84 89.01 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 114.959 -1.018 . . . . 0.0 111.86 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -69.47 -38.17 77.6 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.384 -0.526 . . . . 0.0 111.981 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.7 mt -64.93 -47.13 78.79 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.059 -0.656 . . . . 0.0 112.188 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.12 -47.92 47.6 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.958 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.612 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 64.5 tt0 -62.85 -43.14 99.6 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -81.12 -44.26 18.19 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.372 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.518 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 76.5 mm-40 -71.67 -35.5 70.33 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 118.895 -1.122 . . . . 0.0 111.15 -178.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.8 mt -123.74 62.67 1.06 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.785 0.326 . . . . 0.0 110.493 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.1 p -59.61 -25.46 64.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.627 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.61 -70.44 1.33 Allowed Glycine 0 CA--C 1.528 0.889 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.571 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.437 ' CE1' ' HA ' ' A' ' 85' ' ' CYS . 81.8 t80 -57.49 -43.45 84.13 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.519 ' O ' ' C ' ' A' ' 46' ' ' ASP . 77.9 mt -92.41 -1.46 56.99 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.519 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.2 t0 -26.21 102.7 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.442 0.639 . . . . 0.0 111.199 -178.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.44 -22.38 66.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.914 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -55.26 -35.67 65.25 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.528 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.509 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 52.3 mtmt -59.19 -37.52 77.62 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.456 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.509 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.7 m-20 -142.16 100.86 3.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.935 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.4 t -62.48 -41.15 90.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 48.9 p30 -88.87 4.75 46.74 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.23 72.33 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.209 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.21 -43.54 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.793 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.588 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 88.1 m-20 -61.33 -43.13 99.39 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.831 -0.748 . . . . 0.0 110.36 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -62.42 -40.18 95.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.739 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.49 -46.77 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.306 -0.558 . . . . 0.0 112.322 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.519 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.4 ppp? -66.0 -37.48 86.04 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.622 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 58' ' ' MET . 48.8 tttm -57.77 -41.53 82.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.386 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.69 -37.17 85.73 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.943 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.97 -38.82 86.77 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.572 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 46.7 t0 -77.8 81.02 4.24 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 118.821 -1.152 . . . . 0.0 111.296 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.77 -38.64 86.99 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.241 0.543 . . . . 0.0 111.661 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -58.92 -36.49 74.83 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.181 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.11 2.11 71.69 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 107.988 -2.045 . . . . 0.0 107.988 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.663 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 53.4 p30 -62.34 -32.43 73.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 113.938 -1.131 . . . . 0.0 112.072 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.663 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 99.05 -5.83 59.59 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.409 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 84.4 tt0 -111.22 141.02 45.29 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.9 t -105.85 132.38 53.01 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-O 121.253 0.549 . . . . 0.0 110.658 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.5 t0 -104.32 147.26 27.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.511 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.567 ' CE2' ' CG2' ' A' ' 75' ' ' VAL . 87.6 t80 -52.46 -39.0 60.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.882 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -59.18 -39.61 83.09 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.322 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.16 -41.5 85.92 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.619 0.723 . . . . 0.0 109.888 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.416 ' CE2' ' CZ ' ' A' ' 15' ' ' PHE . 89.8 t80 -64.94 -40.16 94.61 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.567 ' CG2' ' CE2' ' A' ' 71' ' ' PHE . 75.9 t -58.4 -40.61 78.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.123 -0.631 . . . . 0.0 112.104 -176.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.59 -43.95 95.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 118.945 -1.102 . . . . 0.0 110.455 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.9 tp -66.07 -41.06 91.26 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 79' ' ' ALA . 2.8 p -59.04 -33.11 49.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 119.911 -0.715 . . . . 0.0 110.696 -177.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.445 ' N ' HG12 ' A' ' 78' ' ' VAL . . . -59.6 -41.7 90.9 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.144 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.1 -40.05 78.62 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.877 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.15 -39.03 93.14 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.521 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.2 t -60.13 -41.72 93.3 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.765 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.6 t -61.86 -41.22 89.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.12 82.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.521 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.521 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.6 OUTLIER -60.59 -33.56 72.91 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.578 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 19.3 t-20 -54.89 -37.18 65.98 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.101 0.477 . . . . 0.0 110.62 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -53.11 -38.47 62.64 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -59.16 -42.62 91.16 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -58.54 -44.9 89.76 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.61 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.578 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 88.6 m95 -58.21 -34.12 70.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.708 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.82 -32.16 71.55 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.688 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -55.13 -34.35 63.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.576 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.554 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.73 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.518 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 40.7 t -118.49 136.43 53.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.566 0.222 . . . . 0.0 110.949 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.69 -38.32 90.61 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.474 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.9 -40.07 94.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.939 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.56 -40.65 95.47 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.421 ' O ' ' OG1' ' B' ' 10' ' ' THR . 37.0 m -64.78 -38.0 89.5 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.673 177.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.21 72.23 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.633 -178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.3 mtm -59.47 -41.01 88.76 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.407 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.597 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.9 mt-10 -67.04 -37.48 84.16 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.895 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' B' ' 6' ' ' THR . 45.7 m -62.14 -45.08 95.04 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.863 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.62 -47.62 85.42 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 119.579 -0.848 . . . . 0.0 110.739 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.439 HG23 HD11 ' B' ' 12' ' ' ILE . 86.5 mt -60.86 -42.82 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.492 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.597 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 86.9 m-20 -61.88 -39.9 93.52 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.541 -0.463 . . . . 0.0 111.841 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 87.8 t -69.34 -51.19 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 120.045 -0.662 . . . . 0.0 111.997 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.529 ' O ' ' OG ' ' B' ' 19' ' ' SER . 81.3 m-85 -68.45 -44.95 73.77 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 119.611 -0.835 . . . . 0.0 111.675 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.409 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 84.4 t60 -61.22 -39.83 91.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.07 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' B' ' 13' ' ' ASN . . . -61.01 -42.28 98.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.803 -177.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.402 ' CD2' HD23 ' B' ' 36' ' ' LEU . 98.3 m-70 -88.11 -27.02 22.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.529 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 19.5 m -58.0 -37.02 73.5 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.745 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.47 -30.09 67.67 Favored Glycine 0 CA--C 1.524 0.616 0 CA-C-N 115.61 -0.723 . . . . 0.0 113.011 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -56.65 -38.12 71.73 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.236 -178.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -135.37 142.76 45.77 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.866 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.44 -142.92 42.35 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 115.457 -0.792 . . . . 0.0 113.149 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -84.01 132.68 34.72 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.365 -0.917 . . . . 0.0 111.891 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -55.92 -38.2 69.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.664 0.745 . . . . 0.0 110.311 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.594 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.2 m-30 -70.93 -21.22 62.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.32 -1.309 . . . . 0.0 112.263 -176.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -112.36 140.05 47.41 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 77.9 mt -102.06 133.77 46.36 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 174.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -101.5 163.22 12.38 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.585 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 76.7 tttt -51.6 -39.81 58.67 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 118.987 -1.085 . . . . 0.0 109.235 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -62.43 -52.11 64.86 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 119.968 -0.693 . . . . 0.0 112.371 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.95 -41.14 97.67 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.039 -176.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.23 -41.92 96.79 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.56 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.617 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 2.9 tptp -61.04 -46.78 89.31 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.877 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -69.5 -38.15 77.49 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.037 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.402 HD23 ' CD2' ' B' ' 18' ' ' HIS . 45.7 mt -64.9 -47.21 78.6 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.228 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.02 -48.02 47.6 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.806 -0.758 . . . . 0.0 111.947 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.617 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.5 tt0 -62.85 -43.08 99.75 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.426 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 0.7 OUTLIER -81.15 -44.11 18.37 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.379 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.536 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 76.4 mm-40 -71.78 -35.51 70.06 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 118.888 -1.125 . . . . 0.0 111.133 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -123.69 62.78 1.05 Allowed 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.718 0.295 . . . . 0.0 110.482 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -59.7 -25.42 64.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.637 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.68 -70.45 1.33 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.496 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.455 ' CE1' ' HA ' ' B' ' 85' ' ' CYS . 81.9 t80 -57.4 -43.6 83.82 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' B' ' 46' ' ' ASP . 77.8 mt -92.41 -1.32 57.09 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.529 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.2 t0 -26.26 102.69 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.431 0.634 . . . . 0.0 111.194 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.49 -22.34 66.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.885 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -55.31 -35.53 65.23 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.552 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.522 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 52.4 mtmt -59.32 -37.5 77.95 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.386 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.522 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.7 m-20 -142.18 100.84 3.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.973 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.54 -41.07 90.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.441 ' C ' ' OD1' ' B' ' 52' ' ' ASP . 49.0 p30 -88.91 4.82 46.64 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.64 -31.36 72.5 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.256 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.05 -43.67 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.806 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.585 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 87.8 m-20 -61.25 -43.15 99.35 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.415 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -62.35 -40.27 95.86 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.737 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.5 t -66.44 -46.82 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 120.347 -0.541 . . . . 0.0 112.342 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.519 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.4 ppp? -66.03 -37.44 85.88 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.632 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' B' ' 58' ' ' MET . 48.7 tttm -57.76 -41.6 82.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.362 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.69 -37.17 85.71 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.895 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.91 -38.92 87.12 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.575 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 46.7 t0 -77.72 80.96 4.17 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 118.846 -1.142 . . . . 0.0 111.281 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.73 -38.6 86.99 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.32 0.581 . . . . 0.0 111.74 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -59.02 -36.46 74.99 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.25 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.14 2.12 71.59 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.663 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.4 p30 -62.31 -32.59 73.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.026 -1.087 . . . . 0.0 112.013 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.663 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 99.18 -5.88 59.42 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.403 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 84.3 tt0 -111.22 140.99 45.32 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -105.84 132.32 53.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 CA-C-O 121.35 0.595 . . . . 0.0 110.628 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.5 t0 -104.3 147.34 27.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.476 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.561 ' CE2' ' CG2' ' B' ' 75' ' ' VAL . 87.8 t80 -52.48 -39.06 60.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.894 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -59.11 -39.58 82.73 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.309 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.2 -41.53 85.66 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.561 0.696 . . . . 0.0 109.816 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.41 ' CE2' ' CZ ' ' B' ' 15' ' ' PHE . 89.9 t80 -64.89 -40.25 94.8 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.561 ' CG2' ' CE2' ' B' ' 71' ' ' PHE . 75.8 t -58.37 -40.65 78.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.239 -0.584 . . . . 0.0 112.062 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.57 -43.95 95.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 118.933 -1.107 . . . . 0.0 110.516 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 26.9 tp -66.16 -40.95 90.93 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.438 HG12 ' N ' ' B' ' 79' ' ' ALA . 2.8 p -59.11 -33.1 49.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.695 -177.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.438 ' N ' HG12 ' B' ' 78' ' ' VAL . . . -59.62 -41.76 91.15 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.11 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.07 78.82 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 119.781 -0.768 . . . . 0.0 110.899 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.21 -38.99 93.03 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.51 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.2 t -60.12 -41.64 93.08 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.8 -179.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 91.5 t -61.9 -41.27 90.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.02 82.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.518 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.6 OUTLIER -60.65 -33.51 72.91 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.054 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.577 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 19.3 t-20 -54.87 -37.23 65.99 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.159 0.504 . . . . 0.0 110.639 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -53.09 -38.41 62.54 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -59.21 -42.64 91.45 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -58.47 -44.85 89.46 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.646 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.577 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 88.5 m95 -58.37 -34.02 70.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.694 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.75 -32.34 71.64 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.634 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -55.03 -34.4 63.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.56 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.577 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -62.83 154.35 30.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 110.57 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.33 -35.39 78.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.99 -40.1 88.01 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.031 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.5 -40.18 90.41 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 119.441 -0.904 . . . . 0.0 108.598 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.2 m -64.8 -37.99 89.47 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.543 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.95 98.87 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.684 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.6 mtm -57.22 -40.51 77.68 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 118.013 -1.475 . . . . 0.0 108.199 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.515 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 98.0 mt-10 -67.04 -35.96 81.03 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.922 -1.036 . . . . 0.0 110.957 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.9 m -62.16 -44.04 97.49 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.964 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.9 -45.36 94.91 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.812 0.815 . . . . 0.0 111.113 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -68.26 -40.67 82.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.822 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 2.3 m120 -60.16 -41.39 92.71 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.054 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.5 m -74.16 -35.29 40.46 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.105 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.442 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.501 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 66.3 t80 -59.58 -48.36 81.98 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.316 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -61.42 -43.84 98.16 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.98 97.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.496 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 96.8 m-70 -90.53 -32.01 16.5 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.521 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 96.4 p -62.89 -31.29 72.31 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.932 -0.707 . . . . 0.0 111.621 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.16 -28.68 67.03 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 115.879 -0.6 . . . . 0.0 113.894 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.496 ' NZ ' ' O ' ' A' ' 18' ' ' HIS . 32.3 mtmm -57.02 -40.88 77.53 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -176.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.589 ' N ' ' OE2' ' A' ' 32' ' ' GLU . 94.5 mt-10 -141.71 150.65 42.11 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 119.894 -0.722 . . . . 0.0 112.67 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.38 -153.0 51.2 Favored Glycine 0 C--N 1.329 0.153 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -71.92 137.65 47.53 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.521 ' O ' ' OG ' ' A' ' 19' ' ' SER . 20.8 mtpp -59.79 -39.4 84.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.862 0.839 . . . . 0.0 110.067 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 m-30 -71.34 -30.14 65.83 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.158 -1.383 . . . . 0.0 113.407 -175.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -120.73 154.19 35.96 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.206 0.527 . . . . 0.0 111.894 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.61 144.56 25.64 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.1 t -98.14 158.01 15.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.018 -1.446 . . . . 0.0 107.428 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -52.95 -42.01 65.06 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.208 -0.997 . . . . 0.0 110.67 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -61.02 -48.57 81.18 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.505 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.589 ' OE2' ' N ' ' A' ' 22' ' ' GLU . 97.2 mt-10 -62.37 -39.85 94.53 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.183 -176.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.83 -41.43 99.32 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.503 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.596 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 2.7 tptp -60.85 -45.53 94.16 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.724 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.97 -38.25 85.72 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 120.02 -0.672 . . . . 0.0 112.081 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.5 mt -66.83 -45.92 76.77 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.68 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.7 mt -68.44 -41.98 79.52 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 118.902 -1.119 . . . . 0.0 110.494 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.596 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.2 tt0 -63.4 -42.24 98.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.995 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 3.0 t -84.98 -45.57 12.05 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.164 -0.614 . . . . 0.0 112.386 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.49 ' N ' ' CG2' ' A' ' 39' ' ' THR . 97.0 mt-10 -71.96 -35.6 69.6 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.015 -178.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.6 mt -122.0 46.48 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.85 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -57.52 -25.41 59.81 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.86 -68.15 1.34 Allowed Glycine 0 CA--C 1.531 1.083 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.757 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -57.86 -43.78 86.18 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.524 ' O ' ' C ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -91.34 -2.49 57.34 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.524 ' C ' ' O ' ' A' ' 45' ' ' LEU . 59.9 t0 -25.01 112.37 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.542 0.687 . . . . 0.0 111.25 -177.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -27.31 69.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.02 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -56.3 -36.8 69.06 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.345 -178.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -60.85 -40.12 91.69 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.484 ' CG ' ' H ' ' A' ' 53' ' ' ALA . 66.0 t0 -156.86 95.06 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.104 -1.407 . . . . 0.0 111.455 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.91 -40.48 85.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -60.77 -28.35 68.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.561 -1.2 . . . . 0.0 112.465 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.484 ' H ' ' CG ' ' A' ' 50' ' ' ASP . . . -52.46 -32.01 37.62 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.582 -0.447 . . . . 0.0 112.129 -176.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.38 -46.69 85.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.336 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.71 -40.89 96.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.315 0.579 . . . . 0.0 110.867 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -59.59 -41.34 90.05 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.321 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.2 m -76.52 -37.76 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 119.568 -0.853 . . . . 0.0 111.826 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.524 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.7 ppp? -62.81 -38.82 92.2 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.616 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 58' ' ' MET . 47.3 mtpt -59.68 -38.79 82.5 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.956 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.9 -38.1 89.83 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.433 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.498 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 92.1 mt -67.26 -36.92 82.61 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.03 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -92.91 35.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.448 -0.797 . . . . 0.0 112.887 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -51.03 -31.04 17.1 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 121.474 0.654 . . . . 0.0 109.272 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.556 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 10.7 m120 -52.71 -31.3 36.95 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.859 -178.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.96 4.33 56.74 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 108.152 -1.979 . . . . 0.0 108.152 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.586 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 54.1 p30 -90.13 126.58 35.85 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 122.245 1.022 . . . . 0.0 110.388 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -53.82 -25.3 29.43 Favored Glycine 0 C--N 1.306 -1.127 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.527 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -94.75 145.06 25.13 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.605 0.717 . . . . 0.0 110.781 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.3 t -102.54 131.75 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.201 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -83.89 142.61 30.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.418 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.617 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 40.0 t80 -56.05 -41.24 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.358 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -57.76 -41.11 81.28 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.712 -0.795 . . . . 0.0 109.805 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.556 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 98.5 mt-10 -66.75 -40.05 88.14 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.092 0.472 . . . . 0.0 110.7 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -65.51 -45.6 82.92 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.617 ' CG2' ' CE1' ' A' ' 71' ' ' PHE . 58.3 t -63.56 -42.45 96.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.095 -178.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.11 -44.49 98.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.617 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.0 tp -63.56 -39.46 94.45 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.767 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.87 -39.07 78.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.994 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.84 -40.38 79.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.512 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.66 -41.49 79.22 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.404 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.59 -40.49 95.63 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.564 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.4 t -64.27 -40.34 95.78 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 118.862 -1.135 . . . . 0.0 109.73 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.0 t -62.2 -41.89 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.44 -31.44 72.66 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.268 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.564 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -53.95 -34.85 60.87 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.166 -179.659 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.42 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 49.8 t-20 -56.17 -37.4 69.5 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.18 0.514 . . . . 0.0 110.467 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -54.13 -35.77 62.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.513 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -58.57 -45.51 88.85 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -62.89 -44.16 96.86 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.06 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -59.93 -34.33 73.09 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.803 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.43 -33.41 67.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -55.04 -37.4 66.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.672 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.626 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -62.98 154.46 30.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.747 0.308 . . . . 0.0 110.501 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.4 -35.33 78.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.868 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 tt -60.0 -40.11 88.09 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.022 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.43 -40.22 90.29 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.3 m -64.85 -37.98 89.44 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.545 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.94 98.8 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.677 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.7 mtm -57.27 -40.5 77.85 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 118.038 -1.465 . . . . 0.0 108.158 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.509 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 98.1 mt-10 -67.03 -36.05 81.25 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.946 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 46.1 m -62.06 -44.08 97.45 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.987 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.86 -45.44 94.53 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.802 0.81 . . . . 0.0 111.065 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -68.21 -40.59 82.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.882 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 2.3 m120 -60.26 -41.33 93.04 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.977 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.406 HG21 ' N ' ' B' ' 15' ' ' PHE . 25.7 m -74.18 -35.33 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.429 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.497 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 66.4 t80 -59.49 -48.41 81.74 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.331 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -61.39 -43.84 98.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.21 -40.94 97.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -177.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.491 ' O ' ' NZ ' ' B' ' 21' ' ' LYS . 96.9 m-70 -90.6 -31.96 16.46 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 96.0 p -62.88 -31.33 72.35 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.636 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.2 -28.66 67.09 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 115.755 -0.657 . . . . 0.0 113.909 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.491 ' NZ ' ' O ' ' B' ' 18' ' ' HIS . 32.3 mtmm -56.98 -40.8 77.23 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -176.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.578 ' N ' ' OE2' ' B' ' 32' ' ' GLU . 94.5 mt-10 -141.77 150.59 41.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.621 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.43 -153.04 51.23 Favored Glycine 0 C--N 1.33 0.216 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -71.92 137.69 47.57 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.502 ' O ' ' OG ' ' B' ' 19' ' ' SER . 20.8 mtpp -59.84 -39.36 84.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.816 0.817 . . . . 0.0 110.074 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.594 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.2 m-30 -71.38 -30.13 65.76 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.191 -1.368 . . . . 0.0 113.349 -175.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -120.74 154.13 36.06 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.944 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.5 144.54 25.69 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.0 t -98.22 157.99 15.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.088 -1.414 . . . . 0.0 107.428 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -52.94 -41.98 64.99 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.629 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -61.07 -48.59 80.99 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 119.355 -0.938 . . . . 0.0 111.433 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.578 ' OE2' ' N ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -62.4 -39.89 94.71 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.137 -176.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.81 -41.41 99.28 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.48 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.591 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 2.7 tptp -60.95 -45.45 94.69 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.689 177.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.04 -38.21 85.46 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 119.994 -0.682 . . . . 0.0 112.068 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 78.9 mt -66.78 -45.91 76.97 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.726 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 60.8 mt -68.49 -42.03 79.22 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 118.868 -1.133 . . . . 0.0 110.42 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.591 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.2 tt0 -63.39 -42.18 98.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.18 -0.918 . . . . 0.0 113.012 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 3.0 t -85.05 -45.54 12.01 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.128 -0.629 . . . . 0.0 112.394 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' B' ' 39' ' ' THR . 96.9 mt-10 -72.0 -35.55 69.48 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.024 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 64.5 mt -121.95 46.49 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.869 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -57.61 -25.34 59.95 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.87 -68.1 1.34 Allowed Glycine 0 CA--C 1.531 1.038 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.767 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -57.93 -43.77 86.51 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -91.15 -2.53 57.53 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.089 0.404 . . . . 0.0 112.089 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.528 ' C ' ' O ' ' B' ' 45' ' ' LEU . 59.9 t0 -25.05 112.49 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.523 0.677 . . . . 0.0 111.192 -177.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.91 -27.33 69.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.013 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -56.22 -36.87 68.95 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.29 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -60.76 -40.22 91.71 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.498 ' CG ' ' H ' ' B' ' 53' ' ' ALA . 65.8 t0 -156.81 95.0 1.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.49 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.89 -40.47 85.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -60.81 -28.3 68.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.568 -1.196 . . . . 0.0 112.455 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.498 ' H ' ' CG ' ' B' ' 50' ' ' ASP . . . -52.4 -32.09 37.22 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.566 -0.453 . . . . 0.0 112.168 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -57.34 -46.79 85.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 119.701 -0.8 . . . . 0.0 110.294 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -64.6 -40.91 96.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.249 0.547 . . . . 0.0 110.867 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -59.54 -41.35 89.87 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.364 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 27.3 m -76.58 -37.74 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 119.55 -0.86 . . . . 0.0 111.784 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.518 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.7 ppp? -62.84 -38.86 92.43 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.588 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.431 ' N ' ' HG3' ' B' ' 58' ' ' MET . 47.4 mtpt -59.58 -38.86 82.31 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 119.507 -0.877 . . . . 0.0 110.941 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.86 -38.2 90.17 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.286 -0.565 . . . . 0.0 110.388 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.512 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 92.0 mt -67.12 -37.09 83.27 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.041 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -92.82 34.95 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.003 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -51.01 -31.0 16.77 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 121.52 0.676 . . . . 0.0 109.373 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.56 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 10.7 m120 -52.76 -31.24 37.15 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.834 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.95 4.27 56.77 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 108.163 -1.975 . . . . 0.0 108.163 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.59 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 54.1 p30 -90.03 126.55 35.8 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 122.178 0.99 . . . . 0.0 110.479 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -53.78 -25.36 29.34 Favored Glycine 0 C--N 1.305 -1.177 0 CA-C-N 114.359 -1.291 . . . . 0.0 110.59 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -94.67 145.05 25.11 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.669 0.747 . . . . 0.0 110.799 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.53 131.7 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.187 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -83.78 142.62 30.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.481 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.617 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 40.2 t80 -56.03 -41.36 74.85 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.372 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -57.54 -41.24 80.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.902 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.56 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 98.5 mt-10 -66.67 -40.02 88.43 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.116 0.484 . . . . 0.0 110.738 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -65.55 -45.71 82.32 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.617 ' CG2' ' CE1' ' B' ' 71' ' ' PHE . 58.8 t -63.43 -42.51 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.03 -44.49 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.63 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 tp -63.66 -39.49 94.46 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.654 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.9 -39.03 78.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.05 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.81 -40.38 79.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.568 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.64 -41.51 79.33 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.346 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.6 mt -64.67 -40.56 95.63 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.553 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.5 t -64.05 -40.45 96.32 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 118.872 -1.131 . . . . 0.0 109.791 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 69.9 t -62.29 -41.83 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.54 -31.32 72.48 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.242 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.553 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -54.1 -34.83 61.22 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.073 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.428 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 49.7 t-20 -56.16 -37.36 69.44 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.124 0.488 . . . . 0.0 110.435 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -54.11 -35.81 62.55 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.514 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -58.54 -45.49 88.79 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -62.96 -44.2 96.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.98 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -59.8 -34.32 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.897 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.39 -33.49 67.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.606 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -55.02 -37.33 66.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.729 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.528 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 m -63.12 156.66 24.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.703 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.64 -34.96 76.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.294 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.418 ' CD1' ' CD2' ' B' ' 11' ' ' LEU . 39.1 tp -59.08 -40.0 83.88 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.519 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.65 -40.72 88.63 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.342 -0.943 . . . . 0.0 108.667 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.1 m -65.83 -37.49 86.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.922 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.64 84.75 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.921 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.9 mtm -58.43 -41.03 84.14 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 118.867 -1.133 . . . . 0.0 109.122 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.495 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 98.3 mt-10 -67.78 -35.7 79.14 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.878 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 45.7 m -61.92 -43.81 98.07 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.088 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.413 ' CD2' ' CD1' ' B' ' 4' ' ' LEU . 80.5 mt -61.51 -46.6 89.28 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.711 0.767 . . . . 0.0 111.03 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.422 HD13 HD22 ' B' ' 86' ' ' ASN . 74.3 mt -65.57 -42.53 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.75 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 2.2 m120 -59.05 -38.49 79.5 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.538 ' CG1' ' OE2' ' A' ' 40' ' ' GLU . 88.9 t -64.73 -43.01 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.152 178.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 89.6 t80 -59.28 -50.12 75.2 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.845 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -59.97 -38.62 83.04 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.401 -0.519 . . . . 0.0 111.717 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.76 -39.9 95.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.694 ' HD1' ' HZ1' ' A' ' 21' ' ' LYS . 96.7 m-70 -101.43 -48.37 4.37 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -178.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.538 ' OG ' ' CE1' ' A' ' 15' ' ' PHE . 24.7 m -58.07 -34.93 70.66 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.543 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.67 -30.24 62.27 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.655 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.694 ' HZ1' ' HD1' ' A' ' 18' ' ' HIS . 25.9 mtmt -57.71 -38.61 75.54 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -127.5 150.38 49.7 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.42 0.629 . . . . 0.0 112.217 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.47 -159.21 11.85 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -72.7 141.57 48.22 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.895 0.378 . . . . 0.0 110.336 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.01 -39.81 87.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.771 0.796 . . . . 0.0 110.176 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.1 m-30 -74.06 -19.07 60.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.431 -175.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HZ2' ' HB3' ' A' ' 68' ' ' GLU . 20.8 tptm -112.99 140.26 47.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.315 -178.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.516 ' O ' ' O ' ' A' ' 69' ' ' VAL . 4.9 tt -97.46 130.68 44.54 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -178.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.438 ' N ' HD21 ' A' ' 28' ' ' LEU . 35.8 t -101.76 151.38 22.12 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.983 0.42 . . . . 0.0 111.26 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 69.1 tttt -53.5 -40.46 65.41 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.866 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.02 -48.29 82.12 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 119.153 -1.019 . . . . 0.0 110.167 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.557 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.8 mt-10 -61.79 -37.19 83.44 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.454 -177.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.24 -45.16 94.56 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.0 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.582 ' NZ ' ' NE2' ' A' ' 38' ' ' GLN . 19.5 tptt -60.11 -41.55 92.82 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.311 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -69.35 -38.96 78.36 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 114.537 -1.21 . . . . 0.0 112.314 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.75 -50.08 63.91 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 119.316 -0.954 . . . . 0.0 112.226 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.17 -42.87 79.34 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.439 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.582 ' NE2' ' NZ ' ' A' ' 34' ' ' LYS . 51.3 tt0 -64.17 -43.05 96.32 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -178.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.488 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.6 t -84.15 -46.58 11.77 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.505 -0.878 . . . . 0.0 112.238 -178.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.538 ' OE2' ' CG1' ' A' ' 14' ' ' VAL . 95.7 mt-10 -73.7 -34.09 64.68 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.841 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mp -122.65 51.85 1.37 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.72 0.295 . . . . 0.0 110.819 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.8 p -58.28 -25.47 61.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.849 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.48 -69.32 1.27 Allowed Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.734 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.98 -43.43 86.54 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.671 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -92.16 -2.98 56.25 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.529 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 56.1 p30 -20.77 76.56 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.722 0.773 . . . . 0.0 112.626 -177.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -63.34 -27.21 69.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.185 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -52.48 -37.18 56.59 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.427 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.521 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 71.5 mmtt -58.97 -38.03 78.15 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.521 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.9 m-20 -142.87 89.49 2.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.67 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.29 -39.57 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.047 0.451 . . . . 0.0 110.422 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -56.06 -33.46 65.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.998 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.04 -29.45 65.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.014 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.91 -44.56 82.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.198 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -61.3 -41.22 96.62 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.035 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.97 -39.05 84.33 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.821 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.88 -44.5 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.23 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.528 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 ppp? -65.28 -38.45 90.31 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.891 -0.724 . . . . 0.0 111.765 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 58' ' ' MET . 98.4 mttt -59.35 -38.02 79.33 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.719 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.89 -38.46 91.16 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.837 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 70.4 mt -68.05 -35.65 78.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.335 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -97.5 34.95 1.72 Allowed 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.272 -0.876 . . . . 0.0 113.104 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -49.76 -30.37 9.38 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.326 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.547 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 11.4 m120 -53.13 -34.39 56.56 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.538 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.41 3.89 62.8 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.697 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.7 p30 -61.44 -36.09 79.4 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 114.814 -0.693 . . . . 0.0 112.171 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.697 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 91.96 -6.7 79.24 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.415 ' HB3' ' HZ2' ' A' ' 27' ' ' LYS . 39.9 tp10 -118.64 149.0 42.13 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.516 ' O ' ' O ' ' A' ' 28' ' ' LEU . 48.4 t -101.12 129.54 51.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.807 0.813 . . . . 0.0 111.992 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -95.32 129.96 42.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.298 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.569 ' CE2' ' CG2' ' A' ' 75' ' ' VAL . 90.6 t80 -52.05 -40.88 61.77 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.358 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -56.57 -41.3 76.68 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.667 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.547 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.6 mt-10 -66.84 -38.71 86.93 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 120.999 0.428 . . . . 0.0 110.592 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.505 ' CZ ' ' CG2' ' A' ' 78' ' ' VAL . 92.2 t80 -63.08 -42.05 99.55 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.569 ' CG2' ' CE2' ' A' ' 71' ' ' PHE . 73.6 t -59.46 -42.35 87.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.315 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.23 -43.1 97.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.294 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.449 ' O ' ' CD1' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -64.28 -40.1 95.28 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 120.932 0.396 . . . . 0.0 110.408 -179.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.505 ' CG2' ' CZ ' ' A' ' 74' ' ' TYR . 54.6 t -61.21 -39.36 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 120.357 -0.537 . . . . 0.0 112.176 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.22 -38.92 81.14 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.12 -43.69 73.9 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.776 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -67.93 -38.93 83.48 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t -58.93 -43.07 91.11 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 119.12 -1.032 . . . . 0.0 109.951 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.96 -41.15 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.13 0.49 . . . . 0.0 109.935 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.9 -31.54 72.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.456 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 70.9 m -54.72 -35.78 64.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.824 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.432 HD22 HD13 ' B' ' 12' ' ' ILE . 25.0 m120 -56.39 -34.17 66.45 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.771 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.687 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 58.2 t30 -53.23 -39.75 64.02 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 121.603 0.716 . . . . 0.0 109.224 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -66.37 -41.57 89.24 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.512 0.673 . . . . 0.0 109.888 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -59.8 -50.68 72.88 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -176.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.687 ' CD1' ' O ' ' A' ' 87' ' ' ASN . 11.7 p-90 -63.35 -33.6 75.87 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 118.705 -1.198 . . . . 0.0 111.346 -178.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.84 -32.68 73.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.683 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -55.64 -34.52 65.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.625 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.0 m -63.16 156.71 24.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.706 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.73 -34.89 76.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.252 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.422 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 39.1 tp -59.24 -39.9 84.23 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.464 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.65 -40.77 88.8 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 119.459 -0.896 . . . . 0.0 108.648 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.2 m -65.81 -37.56 86.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.938 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.56 -46.75 84.49 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.909 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.0 mtm -58.34 -40.98 83.61 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 118.838 -1.145 . . . . 0.0 109.136 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.487 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 98.4 mt-10 -67.84 -35.75 79.14 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.872 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.415 ' O ' ' CG2' ' B' ' 14' ' ' VAL . 45.3 m -61.93 -43.77 98.16 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.082 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.418 ' CD2' ' CD1' ' A' ' 4' ' ' LEU . 80.4 mt -61.55 -46.55 89.43 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 121.701 0.762 . . . . 0.0 111.089 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.432 HD13 HD22 ' A' ' 86' ' ' ASN . 74.3 mt -65.59 -42.41 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.851 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 2.2 m120 -59.18 -38.49 79.92 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.544 ' CG1' ' OE2' ' B' ' 40' ' ' GLU . 88.3 t -64.65 -43.07 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.2 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.554 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 89.6 t80 -59.22 -50.13 75.2 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.862 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -59.94 -38.55 82.76 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.793 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.93 95.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.683 ' HD1' ' HZ1' ' B' ' 21' ' ' LYS . 96.7 m-70 -101.36 -48.34 4.4 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -177.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.536 ' OG ' ' CE1' ' B' ' 15' ' ' PHE . 24.9 m -58.17 -34.9 70.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.512 -177.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.71 -30.2 62.34 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.699 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.683 ' HZ1' ' HD1' ' B' ' 18' ' ' HIS . 25.8 mtmt -57.72 -38.58 75.54 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.554 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.9 mm-40 -127.56 150.42 49.71 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.408 0.623 . . . . 0.0 112.271 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.43 -159.11 11.81 Favored Glycine 0 CA--C 1.519 0.341 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.75 141.55 48.14 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.91 0.386 . . . . 0.0 110.317 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.14 -39.71 87.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.742 0.782 . . . . 0.0 110.17 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.567 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.1 m-30 -74.05 -19.02 60.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.025 -1.443 . . . . 0.0 112.488 -176.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.415 ' HZ2' ' HB3' ' B' ' 68' ' ' GLU . 20.8 tptm -112.99 140.23 47.98 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.343 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.521 ' O ' ' O ' ' B' ' 69' ' ' VAL . 4.9 tt -97.57 130.59 44.6 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.441 ' N ' HD21 ' B' ' 28' ' ' LEU . 35.9 t -101.65 151.45 22.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.879 0.371 . . . . 0.0 111.308 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -53.61 -40.37 65.67 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.898 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.06 -48.31 82.07 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.127 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.554 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.8 mt-10 -61.89 -37.14 83.49 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.403 -177.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.12 -45.23 94.41 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.087 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.589 ' NZ ' ' NE2' ' B' ' 38' ' ' GLN . 19.5 tptt -60.0 -41.66 92.59 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.339 178.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -69.21 -39.06 78.82 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 114.495 -1.23 . . . . 0.0 112.397 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.72 -50.13 63.79 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.33 -0.948 . . . . 0.0 112.207 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.21 -42.83 79.26 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.257 -0.977 . . . . 0.0 111.36 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.589 ' NE2' ' NZ ' ' B' ' 34' ' ' LYS . 51.4 tt0 -64.31 -42.94 96.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.6 t -84.15 -46.55 11.8 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.597 -0.841 . . . . 0.0 112.263 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.544 ' OE2' ' CG1' ' B' ' 14' ' ' VAL . 95.8 mt-10 -73.7 -34.13 64.7 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.848 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mp -122.65 51.8 1.38 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.694 0.283 . . . . 0.0 110.816 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -58.21 -25.56 61.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.847 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.39 -69.45 1.27 Allowed Glycine 0 CA--C 1.531 1.068 0 N-CA-C 111.639 -0.584 . . . . 0.0 111.639 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.94 -43.37 86.32 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.689 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.4 OUTLIER -92.15 -3.1 56.1 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.537 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 56.0 p30 -20.61 76.5 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.697 0.76 . . . . 0.0 112.6 -177.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.689 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -63.32 -27.23 69.18 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.181 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -52.45 -37.26 56.52 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.412 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.516 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 71.5 mmtt -58.81 -38.15 77.97 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.516 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.7 m-20 -142.84 89.54 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.674 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.27 -39.6 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.008 0.433 . . . . 0.0 110.448 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -56.13 -33.39 65.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.036 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.96 -29.59 65.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.036 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.75 -44.65 82.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.226 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.33 -41.16 96.58 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.024 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.98 -39.06 84.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.908 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.5 t -66.88 -44.58 88.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.107 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.541 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -65.25 -38.51 90.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.706 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' B' ' 58' ' ' MET . 98.4 mttt -59.3 -38.03 79.21 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 119.766 -0.774 . . . . 0.0 111.718 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.8 -38.51 91.36 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.882 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.482 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 70.3 mt -67.95 -35.73 78.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.448 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -97.51 35.04 1.71 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.182 -0.917 . . . . 0.0 113.06 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -49.75 -30.43 9.47 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.312 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.55 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 11.5 m120 -53.09 -34.44 56.62 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.519 -178.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.37 4.03 62.79 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 108.705 -1.758 . . . . 0.0 108.705 -177.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.692 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.9 p30 -61.49 -36.02 79.31 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 114.782 -0.709 . . . . 0.0 112.185 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.692 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 92.0 -6.77 79.15 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.415 ' HB3' ' HZ2' ' B' ' 27' ' ' LYS . 39.9 tp10 -118.66 148.89 42.26 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.521 ' O ' ' O ' ' B' ' 28' ' ' LEU . 48.1 t -101.01 129.55 51.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.828 0.823 . . . . 0.0 112.017 -178.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -95.36 130.02 42.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.33 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.573 ' CE2' ' CG2' ' B' ' 75' ' ' VAL . 90.7 t80 -52.13 -40.81 61.89 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.019 -0.672 . . . . 0.0 111.388 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -56.51 -41.28 76.45 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.463 -0.895 . . . . 0.0 109.666 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.55 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.7 mt-10 -66.91 -38.72 86.75 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 178.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.508 ' CZ ' ' CG2' ' B' ' 78' ' ' VAL . 92.3 t80 -63.09 -42.07 99.53 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.573 ' CG2' ' CE2' ' B' ' 71' ' ' PHE . 73.5 t -59.51 -42.23 87.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.304 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 73.6 t -64.22 -43.15 97.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.381 -0.527 . . . . 0.0 111.302 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.445 ' O ' ' CD1' ' B' ' 77' ' ' LEU . 0.2 OUTLIER -64.27 -40.1 95.28 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.983 0.421 . . . . 0.0 110.394 -178.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.508 ' CG2' ' CZ ' ' B' ' 74' ' ' TYR . 54.8 t -61.19 -39.41 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.195 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.16 -38.89 80.81 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.744 -0.383 . . . . 0.0 112.027 -177.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.07 -43.72 74.02 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.829 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 0.6 OUTLIER -67.92 -38.93 83.49 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -178.873 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t -58.95 -43.1 91.22 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 119.206 -0.998 . . . . 0.0 109.877 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.99 -41.14 91.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.166 0.507 . . . . 0.0 109.928 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -31.64 72.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.358 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 70.9 m -54.64 -35.82 63.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.864 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.422 HD22 HD13 ' A' ' 12' ' ' ILE . 24.9 m120 -56.37 -34.17 66.4 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.743 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.682 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 57.9 t30 -53.32 -39.73 64.27 Favored 'General case' 0 C--O 1.226 -0.169 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -66.35 -41.63 89.27 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.462 0.649 . . . . 0.0 109.84 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -59.81 -50.66 72.94 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -176.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.682 ' CD1' ' O ' ' B' ' 87' ' ' ASN . 11.6 p-90 -63.34 -33.57 75.83 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 118.692 -1.203 . . . . 0.0 111.411 -178.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.86 -32.7 73.06 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.712 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -55.56 -34.62 64.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.565 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.507 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 p -80.96 7.59 10.33 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-O 121.957 0.884 . . . . 0.0 110.518 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -58.57 -32.35 68.84 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 113.804 -1.544 . . . . 0.0 111.268 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.7 tp -57.29 -41.72 80.35 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.437 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.503 ' OE2' ' O ' ' B' ' 40' ' ' GLU . 97.4 mt-10 -63.93 -39.27 93.77 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 119.626 -0.829 . . . . 0.0 109.598 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' OG1' ' A' ' 10' ' ' THR . 46.9 m -64.74 -39.52 93.78 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.305 178.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.28 -48.16 71.31 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.811 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.1 mtm -57.68 -42.45 83.66 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 118.32 -1.352 . . . . 0.0 108.985 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.5 -38.42 87.19 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.131 -177.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 6' ' ' THR . 47.5 m -61.58 -43.0 99.66 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.167 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.8 -46.15 88.26 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 119.697 -0.801 . . . . 0.0 110.165 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.448 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 77.3 mt -64.01 -40.69 89.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.389 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -60.25 -40.34 89.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.243 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.584 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 33.9 m -78.96 -47.3 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 119.414 -0.914 . . . . 0.0 112.659 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.426 ' CZ ' ' CE2' ' A' ' 74' ' ' TYR . 65.1 m-85 -65.59 -38.71 90.27 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 119.438 -0.905 . . . . 0.0 111.153 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.448 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 85.4 t60 -59.88 -44.94 93.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.626 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.67 -51.7 39.1 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.584 ' ND1' ' O ' ' A' ' 14' ' ' VAL . 53.1 m80 -61.52 -43.31 99.09 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.0 m -58.41 -35.26 71.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 111.568 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.11 -28.55 58.63 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.539 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -56.5 -40.27 74.69 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.358 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.514 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.1 mt-10 -143.83 138.55 28.75 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.891 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.91 -166.14 54.73 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -72.14 145.94 47.77 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.948 0.404 . . . . 0.0 110.072 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -59.3 -35.55 73.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.737 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -88.17 -4.55 58.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.133 -177.437 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.56 ' NZ ' ' CD ' ' A' ' 68' ' ' GLU . 19.9 tptm -114.61 131.25 56.76 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.374 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.512 ' O ' ' O ' ' A' ' 69' ' ' VAL . 25.4 mt -99.3 135.13 41.16 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.519 0.676 . . . . 0.0 111.637 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.9 p -101.85 160.91 14.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.464 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.39 -39.24 69.9 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.446 -0.901 . . . . 0.0 110.255 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -62.37 -53.2 58.4 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.754 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.0 mt-10 -63.82 -41.03 97.95 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.713 -176.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.4 tp -63.86 -45.84 87.66 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.829 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.706 ' HZ1' ' NE2' ' A' ' 38' ' ' GLN . 17.7 tptp -60.78 -42.16 96.98 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 121.845 0.831 . . . . 0.0 110.97 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -70.06 -38.16 75.7 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 114.672 -1.149 . . . . 0.0 112.289 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.462 ' CD2' ' CG ' ' A' ' 18' ' ' HIS . 65.2 mt -68.19 -45.94 72.04 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.656 -0.818 . . . . 0.0 112.204 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 71.7 mt -69.62 -44.98 69.56 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.492 -0.883 . . . . 0.0 110.639 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.706 ' NE2' ' HZ1' ' A' ' 34' ' ' LYS . 51.8 tt0 -64.69 -41.9 95.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.903 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.3 t -81.84 -47.17 13.15 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.936 -0.706 . . . . 0.0 112.402 -178.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.514 ' O ' ' OE2' ' B' ' 5' ' ' GLU . 75.9 mm-40 -72.91 -34.68 66.79 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 119.603 -0.839 . . . . 0.0 111.297 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -123.98 58.06 1.19 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.752 0.311 . . . . 0.0 110.529 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.8 m -55.16 -32.77 62.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.639 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.4 -68.36 1.4 Allowed Glycine 0 CA--C 1.53 1.01 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.272 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -58.28 -43.44 87.98 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 47' ' ' ALA . 1.5 mm? -91.35 -3.63 56.57 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.4 t0 -22.58 75.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.672 0.607 . . . . 0.0 112.435 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.697 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -68.79 -20.42 64.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.061 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -55.43 -35.16 65.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.686 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 52.2 mtmt -58.49 -35.66 72.56 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.056 -0.658 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.5 m-20 -140.01 94.12 2.72 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.1 t -59.49 -44.65 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.188 0.518 . . . . 0.0 111.402 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.25 -33.73 71.38 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.49 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.23 -28.65 65.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.944 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.58 -44.8 81.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.205 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.26 -40.96 97.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.374 0.607 . . . . 0.0 110.245 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -59.46 -39.49 83.84 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.618 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.4 t -67.59 -45.24 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.96 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.564 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.1 ppp? -62.68 -37.69 87.44 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.838 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -57.0 -38.3 72.88 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 118.368 -1.333 . . . . 0.0 108.978 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -65.99 -36.38 83.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.044 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.4 mt -66.48 -37.74 85.76 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.24 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.501 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 38.6 t0 -84.49 100.06 11.11 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.173 -1.011 . . . . 0.0 112.657 -178.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -69.58 -39.69 77.17 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.504 0.668 . . . . 0.0 110.776 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -59.78 -36.73 77.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.634 -1.166 . . . . 0.0 112.321 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.0 3.99 69.61 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.642 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.7 p30 -62.35 -31.45 72.08 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 114.312 -0.944 . . . . 0.0 112.172 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.642 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 100.45 -4.74 56.9 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.56 ' CD ' ' NZ ' ' A' ' 27' ' ' LYS . 80.6 tt0 -116.84 143.35 45.79 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.512 ' O ' ' O ' ' A' ' 28' ' ' LEU . 53.2 t -106.33 134.58 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.5 0.667 . . . . 0.0 112.339 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.2 t0 -105.82 151.95 23.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.408 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 81.4 t80 -53.17 -41.46 65.23 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.048 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.14 -41.55 83.93 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.225 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.48 -40.24 81.05 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.473 0.654 . . . . 0.0 110.984 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.426 ' CE2' ' CZ ' ' A' ' 15' ' ' PHE . 90.4 t80 -62.74 -40.56 97.6 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.5 m -64.3 -32.77 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -177.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.95 -50.46 77.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 118.746 -1.182 . . . . 0.0 111.883 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.9 mt -76.11 -35.66 59.21 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 p -55.49 -34.83 35.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 119.325 -0.95 . . . . 0.0 110.333 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.432 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.08 -37.89 81.25 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.57 -40.55 76.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.509 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.87 -39.48 94.57 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.543 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.556 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -61.35 -41.62 97.35 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 119.26 -0.976 . . . . 0.0 109.686 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.2 t -62.37 -41.59 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.27 -30.31 71.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.059 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -54.89 -36.04 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.177 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.45 ' ND2' ' SG ' ' A' ' 85' ' ' CYS . 2.9 m120 -57.13 -34.65 68.61 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.457 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -53.27 -35.89 60.56 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -59.17 -43.43 92.15 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.92 -46.2 90.12 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.658 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -59.44 -34.61 72.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.076 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.0 -33.44 68.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.555 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.79 137.0 42.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.539 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.592 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.502 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.526 0.726 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.8 p -80.97 7.66 10.19 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 122.056 0.931 . . . . 0.0 110.606 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -58.55 -32.39 68.86 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.269 -177.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 42.7 tp -57.31 -41.68 80.36 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.49 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' A' ' 40' ' ' GLU . 97.4 mt-10 -63.98 -39.19 93.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.667 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.484 ' O ' ' OG1' ' B' ' 10' ' ' THR . 45.9 m -64.75 -39.56 93.83 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.394 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.3 71.2 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.743 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 47.2 mtm -57.63 -42.49 83.48 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 118.328 -1.349 . . . . 0.0 108.996 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.44 -38.46 87.46 Favored 'General case' 0 N--CA 1.436 -1.125 0 CA-C-N 113.792 -1.549 . . . . 0.0 110.186 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' B' ' 6' ' ' THR . 45.9 m -61.51 -42.98 99.62 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.212 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.0 mt -58.87 -46.15 88.47 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.107 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' B' ' 16' ' ' HIS . 77.2 mt -64.05 -40.6 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.471 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -60.35 -40.33 90.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.192 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.59 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 33.8 m -78.99 -47.2 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.653 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.416 ' CZ ' ' CE2' ' B' ' 74' ' ' TYR . 65.3 m-85 -65.67 -38.74 90.14 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 119.506 -0.878 . . . . 0.0 111.087 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.446 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 85.3 t60 -59.99 -44.72 94.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.568 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.85 -51.62 38.56 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.59 ' ND1' ' O ' ' B' ' 14' ' ' VAL . 53.0 m80 -61.7 -43.29 99.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.0 m -58.34 -35.34 71.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.856 0.36 . . . . 0.0 111.576 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.0 -28.55 58.32 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.65 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -56.52 -40.3 74.82 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.376 -178.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.504 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.1 mt-10 -143.81 138.5 28.76 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.916 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.89 -166.13 54.72 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -72.09 145.91 47.87 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.906 0.384 . . . . 0.0 110.042 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -59.29 -35.49 73.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.757 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.555 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 1.0 OUTLIER -88.23 -4.54 58.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.061 -177.348 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.562 ' NZ ' ' CD ' ' B' ' 68' ' ' GLU . 19.9 tptm -114.65 131.25 56.79 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.346 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.514 ' O ' ' O ' ' B' ' 69' ' ' VAL . 25.7 mt -99.26 135.05 41.23 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.481 0.658 . . . . 0.0 111.67 178.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.6 p -101.69 160.93 14.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.603 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.4 -39.31 70.02 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.531 -0.868 . . . . 0.0 110.197 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -62.38 -53.18 58.76 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.73 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.504 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.0 mt-10 -63.8 -41.11 97.97 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 119.352 -0.939 . . . . 0.0 110.608 -176.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 55.6 tp -63.95 -45.72 87.89 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.8 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.707 ' HZ1' ' NE2' ' B' ' 38' ' ' GLN . 17.8 tptp -60.86 -42.05 97.09 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 121.877 0.846 . . . . 0.0 111.035 178.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -70.0 -38.23 75.92 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 114.696 -1.138 . . . . 0.0 112.349 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.472 ' CD2' ' CG ' ' B' ' 18' ' ' HIS . 65.6 mt -68.25 -45.85 72.07 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.605 -0.838 . . . . 0.0 112.244 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 71.9 mt -69.59 -45.1 69.4 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.653 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.707 ' NE2' ' HZ1' ' B' ' 34' ' ' LYS . 51.7 tt0 -64.58 -41.92 95.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.969 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.3 t -81.85 -47.05 13.28 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.857 -0.737 . . . . 0.0 112.487 -178.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.507 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 75.9 mm-40 -72.95 -34.72 66.7 Favored 'General case' 0 N--CA 1.46 0.072 0 C-N-CA 119.66 -0.816 . . . . 0.0 111.251 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -123.93 58.01 1.18 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.716 0.293 . . . . 0.0 110.558 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 24.0 m -55.19 -32.79 62.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.638 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.3 -68.35 1.41 Allowed Glycine 0 CA--C 1.53 0.98 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.341 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -58.35 -43.36 88.29 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' B' ' 47' ' ' ALA . 1.5 mm? -91.43 -3.6 56.48 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.3 t0 -22.5 75.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.642 0.589 . . . . 0.0 112.562 -177.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.698 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -68.83 -20.4 64.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.041 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -55.53 -35.03 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.72 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.504 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 52.1 mtmt -58.54 -35.67 72.68 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.004 -0.678 . . . . 0.0 111.183 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 91.4 m-20 -139.94 94.21 2.74 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 40.1 t -59.52 -44.61 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 111.403 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.27 -33.83 71.53 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.422 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.14 -28.68 64.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.933 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.61 -44.81 81.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.117 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' B' ' 58' ' ' MET . 89.9 m-20 -62.26 -40.96 97.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.42 0.629 . . . . 0.0 110.276 178.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -59.41 -39.56 83.84 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.688 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 68.9 t -67.49 -45.24 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.038 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.554 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.0 ppp? -62.61 -37.78 87.59 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.04 -0.664 . . . . 0.0 111.812 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -57.04 -38.36 73.1 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 118.327 -1.349 . . . . 0.0 108.931 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.93 -36.29 82.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.092 177.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.65 -37.55 85.03 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.296 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.484 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 38.5 t0 -84.51 100.06 11.12 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.122 -1.031 . . . . 0.0 112.669 -178.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -69.53 -39.77 77.28 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.558 0.694 . . . . 0.0 110.762 176.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -59.79 -36.68 77.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.297 -177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.99 3.95 69.69 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 108.282 -1.927 . . . . 0.0 108.282 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.641 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.8 p30 -62.36 -31.46 72.11 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 114.328 -0.936 . . . . 0.0 112.104 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.641 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 100.41 -4.55 56.89 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.562 ' CD ' ' NZ ' ' B' ' 27' ' ' LYS . 80.8 tt0 -116.95 143.4 45.76 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' B' ' 28' ' ' LEU . 52.6 t -106.38 134.47 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.51 0.671 . . . . 0.0 112.302 -178.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.3 t0 -105.79 152.05 23.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.385 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.517 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 81.4 t80 -53.23 -41.51 65.48 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.061 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.08 -41.57 83.7 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.239 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.47 -40.21 81.1 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.392 0.615 . . . . 0.0 111.05 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.416 ' CE2' ' CZ ' ' B' ' 15' ' ' PHE . 90.3 t80 -62.81 -40.43 97.35 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.405 HG22 ' N ' ' B' ' 76' ' ' VAL . 33.6 m -64.38 -32.73 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.405 ' N ' HG22 ' B' ' 75' ' ' VAL . 69.3 t -63.9 -50.47 77.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 118.809 -1.157 . . . . 0.0 111.887 -178.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 50.7 mt -76.27 -35.58 58.85 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 p -55.26 -35.0 34.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 119.414 -0.915 . . . . 0.0 110.394 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.434 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.07 -37.91 81.3 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.54 -40.56 76.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.454 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.84 -39.48 94.49 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.563 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.0 OUTLIER -61.39 -41.54 97.3 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 119.106 -1.038 . . . . 0.0 109.724 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.44 -41.51 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.28 -30.37 71.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.988 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.563 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -54.88 -35.98 64.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.196 -179.579 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.452 ' ND2' ' SG ' ' B' ' 85' ' ' CYS . 2.9 m120 -57.13 -34.7 68.66 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.429 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -53.31 -35.83 60.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -59.24 -43.47 92.37 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.88 -46.18 90.14 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.677 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -59.44 -34.63 72.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.074 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.06 -33.37 68.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.551 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.86 137.05 42.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.533 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.552 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 m -63.16 156.45 25.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 110.7 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.64 -34.74 76.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.319 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.412 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 31.5 tp -58.81 -39.55 81.52 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.033 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.18 -40.65 86.3 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 119.371 -0.932 . . . . 0.0 108.607 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.9 m -65.96 -37.59 86.38 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.955 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.96 83.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.866 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.5 mtm -58.47 -40.42 82.65 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 118.949 -1.1 . . . . 0.0 109.103 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.576 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.8 mt-10 -66.87 -36.55 82.58 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.205 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.8 m -61.54 -43.3 99.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.83 -46.19 90.55 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 120.091 -0.643 . . . . 0.0 111.203 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.66 -43.33 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.742 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.576 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 86.0 m-20 -59.58 -38.19 80.52 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.933 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.532 ' CG1' ' OE2' ' A' ' 40' ' ' GLU . 95.8 t -65.05 -43.84 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 90.2 t80 -59.99 -46.55 89.1 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.023 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -60.61 -40.17 90.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.045 0.45 . . . . 0.0 111.002 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.99 98.97 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -103.38 -42.22 5.78 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.484 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 85.6 p -61.31 -32.59 72.45 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.096 -178.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.79 -31.98 80.13 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.512 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -58.05 -36.75 73.23 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -127.61 147.81 50.36 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.696 0.76 . . . . 0.0 112.972 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.3 -141.58 43.72 Favored Glycine 0 CA--C 1.521 0.451 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.813 177.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -83.21 128.95 34.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.479 -0.861 . . . . 0.0 110.422 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -56.31 -38.7 71.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.566 0.698 . . . . 0.0 110.056 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.582 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 m-30 -74.19 -20.41 60.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.466 -1.243 . . . . 0.0 113.014 -176.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -113.89 144.89 42.28 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.884 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.529 ' O ' ' O ' ' A' ' 69' ' ' VAL . 4.9 tt -102.5 128.55 49.08 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.416 ' N ' HD22 ' A' ' 28' ' ' LEU . 84.2 p -102.16 159.78 15.09 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.971 0.415 . . . . 0.0 111.454 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -54.45 -39.07 67.07 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.577 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -60.19 -49.75 76.41 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.847 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.49 -38.16 88.79 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.261 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.7 tp -62.9 -44.07 97.08 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.48 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.584 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 4.8 tptp -59.39 -41.53 89.59 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.613 178.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -71.24 -40.72 70.85 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.702 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 95.0 mt -64.4 -47.93 77.32 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.288 -0.965 . . . . 0.0 111.903 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.592 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 5.5 mp -70.65 -42.78 70.38 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.698 -0.801 . . . . 0.0 112.09 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.584 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.0 tt0 -62.56 -41.73 99.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.4 t -86.61 -45.72 10.77 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.646 -0.822 . . . . 0.0 112.562 -179.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.532 ' OE2' ' CG1' ' A' ' 14' ' ' VAL . 95.8 mt-10 -73.67 -33.53 64.49 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 120.236 -0.586 . . . . 0.0 112.494 -177.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 mp -120.54 43.48 2.73 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.053 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.8 p -57.11 -24.7 55.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.682 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.43 -69.12 1.31 Allowed Glycine 0 CA--C 1.533 1.208 0 C-N-CA 121.193 -0.527 . . . . 0.0 111.907 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.97 -43.13 86.29 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.493 ' O ' ' C ' ' A' ' 46' ' ' ASP . 8.8 mp -94.03 -0.31 55.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.571 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 53.2 p30 -20.93 120.77 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 122.402 1.096 . . . . 0.0 112.798 -177.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.18 -18.24 65.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.013 -1.448 . . . . 0.0 112.215 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.34 -34.99 62.23 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.109 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -112.43 141.14 46.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 56.28 50.93 12.39 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.222 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.3 t -53.12 -37.48 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.682 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 49.4 p30 -78.93 9.57 4.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.785 0.326 . . . . 0.0 110.987 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.95 -30.8 69.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.151 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.0 t -57.62 -47.82 84.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.344 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -65.8 -43.62 88.13 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.734 0.778 . . . . 0.0 110.736 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 21.0 mtmm -59.0 -40.79 85.99 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.912 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.8 m -76.56 -37.09 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.217 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.581 ' C ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -59.56 -39.33 83.68 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.247 179.717 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' N ' ' HG3' ' A' ' 58' ' ' MET . 68.5 mttm -58.15 -38.51 76.73 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 118.823 -1.151 . . . . 0.0 109.707 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.44 -37.1 85.89 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.141 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.487 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 59.1 mt -67.03 -35.6 80.24 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.407 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.617 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 48.7 t0 -70.77 82.43 0.63 Allowed 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.985 -177.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.73 -38.18 88.44 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.174 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.462 ' ND2' ' OD2' ' A' ' 66' ' ' ASP . 33.2 p-10 -89.05 1.54 55.4 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.118 -0.633 . . . . 0.0 112.468 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.473 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 74.22 27.17 66.61 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.254 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.617 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 55.2 p30 -104.95 155.18 19.18 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 122.291 1.043 . . . . 0.0 110.048 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.8 -28.28 62.93 Favored Glycine 0 C--N 1.298 -1.577 0 CA-C-N 113.828 -1.533 . . . . 0.0 112.287 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.528 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 42.3 tp10 -95.37 146.62 24.26 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.502 0.668 . . . . 0.0 111.945 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.529 ' O ' ' O ' ' A' ' 28' ' ' LEU . 47.0 t -110.31 135.26 49.92 Favored 'Isoleucine or valine' 0 C--N 1.338 0.093 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.243 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 56.9 t0 -99.06 145.39 27.16 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.431 0.634 . . . . 0.0 111.401 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.559 ' CE2' ' CG2' ' A' ' 75' ' ' VAL . 90.0 t80 -52.24 -39.81 60.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.892 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -56.84 -40.62 76.41 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.859 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.487 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 99.6 mt-10 -65.95 -41.98 90.55 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.448 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.582 ' CZ ' ' CG2' ' A' ' 78' ' ' VAL . 82.2 t80 -64.85 -41.31 95.81 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.559 ' CG2' ' CE2' ' A' ' 71' ' ' PHE . 78.8 t -58.29 -40.96 79.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.181 -0.608 . . . . 0.0 111.519 -177.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.21 -43.54 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.597 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 tp -63.86 -39.83 95.13 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.816 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.582 ' CG2' ' CZ ' ' A' ' 74' ' ' TYR . 53.1 t -58.71 -40.29 79.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.887 -179.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.54 87.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.106 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.29 -43.87 66.29 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.366 -0.534 . . . . 0.0 111.704 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.495 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 74.8 mt -64.92 -40.03 94.43 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -62.2 -42.6 99.44 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.763 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.6 t -63.9 -41.52 92.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.882 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.93 -33.33 75.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 73.1 m -56.21 -35.83 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.424 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.33 -34.6 66.73 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.312 0.577 . . . . 0.0 110.195 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -53.52 -36.97 62.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.435 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -57.43 -45.54 84.53 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.553 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -63.57 -45.02 92.35 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -60.47 -33.85 73.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.23 -33.32 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -99.79 119.89 38.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.473 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.463 ' O ' ' OG ' ' A' ' 93' ' ' SER . 14.1 p . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.056 -0.974 . . . . 0.0 110.511 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m -63.22 156.43 25.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.636 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.6 -34.8 76.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.264 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.413 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 31.4 tp -58.72 -39.54 81.12 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.107 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.24 -40.58 86.39 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 119.4 -0.92 . . . . 0.0 108.661 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.3 m -65.93 -37.66 86.63 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.967 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.36 -47.02 83.86 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.829 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.3 mtm -58.52 -40.55 83.21 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.032 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.593 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.8 mt-10 -66.7 -36.59 82.86 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.306 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 44.9 m -61.49 -43.39 98.94 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.052 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.82 -46.18 90.62 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.467 0.651 . . . . 0.0 111.208 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.2 mt -65.68 -43.4 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.68 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.593 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 86.1 m-20 -59.52 -38.19 80.33 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.892 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.531 ' CG1' ' OE2' ' B' ' 40' ' ' GLU . 96.1 t -64.99 -43.84 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 90.1 t80 -60.04 -46.42 89.57 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.112 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -60.69 -40.14 91.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.101 0.476 . . . . 0.0 110.955 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -40.98 99.09 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -103.36 -42.23 5.78 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 -177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 85.2 p -61.14 -32.66 72.36 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.176 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.79 -32.04 80.34 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.473 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.09 -36.71 73.24 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -127.63 147.75 50.37 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.749 0.785 . . . . 0.0 112.957 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.39 -141.61 43.85 Favored Glycine 0 CA--C 1.521 0.425 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.801 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -83.24 129.02 34.98 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.498 -0.851 . . . . 0.0 110.396 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -56.35 -38.6 71.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.596 0.712 . . . . 0.0 110.123 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.576 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.2 m-30 -74.25 -20.38 60.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.395 -1.275 . . . . 0.0 113.017 -176.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -113.98 144.84 42.42 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.524 ' O ' ' O ' ' B' ' 69' ' ' VAL . 4.8 tt -102.44 128.54 49.0 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.424 ' N ' HD22 ' B' ' 28' ' ' LEU . 84.2 p -102.09 159.8 15.06 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.956 0.408 . . . . 0.0 111.477 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -54.58 -38.93 67.29 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.528 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -60.3 -49.76 76.3 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.784 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.55 -38.06 88.58 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.254 -177.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 50.7 tp -62.98 -44.07 97.05 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.464 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.583 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 4.9 tptp -59.35 -41.48 89.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.642 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -71.33 -40.62 70.63 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.688 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' B' ' 40' ' ' GLU . 95.0 mt -64.41 -47.99 77.09 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 119.325 -0.95 . . . . 0.0 111.923 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.591 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 5.6 mp -70.67 -42.76 70.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.776 -0.77 . . . . 0.0 112.031 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.583 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.0 tt0 -62.6 -41.67 99.12 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.4 t -86.66 -45.63 10.82 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.62 -0.832 . . . . 0.0 112.54 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.531 ' OE2' ' CG1' ' B' ' 14' ' ' VAL . 95.9 mt-10 -73.77 -33.6 64.32 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.4 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 mp -120.46 43.47 2.72 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.155 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -57.09 -24.66 55.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.716 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.36 -69.25 1.31 Allowed Glycine 0 CA--C 1.533 1.182 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.911 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.88 -43.16 85.87 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.512 ' O ' ' C ' ' B' ' 46' ' ' ASP . 8.9 mp -94.11 -0.26 55.43 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.584 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 53.1 p30 -20.9 120.74 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 122.422 1.106 . . . . 0.0 112.807 -177.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.24 -18.15 65.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 113.953 -1.476 . . . . 0.0 112.22 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.42 -34.89 62.22 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.109 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -112.45 141.15 46.53 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 56.32 50.93 12.33 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.182 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -53.13 -37.47 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.758 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.454 ' C ' ' OD1' ' B' ' 52' ' ' ASP . 49.4 p30 -78.91 9.5 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.802 0.334 . . . . 0.0 111.003 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.92 -30.7 69.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.168 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 76.1 t -57.81 -47.64 85.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.27 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -65.91 -43.59 87.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.714 0.769 . . . . 0.0 110.669 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.437 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 21.0 mtmm -59.08 -40.77 86.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.867 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 15.7 m -76.52 -37.18 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 C-N-CA 119.243 -0.983 . . . . 0.0 111.275 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.579 ' C ' ' SD ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -59.5 -39.29 83.32 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 119.221 -0.992 . . . . 0.0 110.28 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' B' ' 58' ' ' MET . 68.6 mttm -58.28 -38.38 76.86 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 118.797 -1.161 . . . . 0.0 109.72 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.41 -37.19 86.21 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.207 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.477 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 59.0 mt -66.94 -35.62 80.39 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.455 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.627 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 48.6 t0 -70.77 82.46 0.63 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.348 -0.941 . . . . 0.0 111.003 -177.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.81 -38.2 88.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.086 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.498 ' ND2' ' OD2' ' B' ' 66' ' ' ASP . 33.3 p-10 -89.02 1.5 55.43 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.107 -0.637 . . . . 0.0 112.503 -178.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.46 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 74.27 27.15 66.54 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.232 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.627 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 55.2 p30 -105.03 155.21 19.18 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 122.25 1.024 . . . . 0.0 110.066 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.84 -28.26 63.0 Favored Glycine 0 C--N 1.298 -1.568 0 CA-C-N 113.842 -1.526 . . . . 0.0 112.239 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.534 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 42.3 tp10 -95.37 146.6 24.27 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.534 0.683 . . . . 0.0 111.9 -177.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.524 ' O ' ' O ' ' B' ' 28' ' ' LEU . 46.8 t -110.3 135.27 49.85 Favored 'Isoleucine or valine' 0 C--N 1.339 0.131 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.28 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 56.9 t0 -99.07 145.3 27.27 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.476 0.655 . . . . 0.0 111.417 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.559 ' CE2' ' CG2' ' B' ' 75' ' ' VAL . 89.9 t80 -52.02 -39.91 60.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.967 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -56.83 -40.63 76.4 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.857 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.477 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 99.6 mt-10 -65.98 -41.93 90.49 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.258 0.551 . . . . 0.0 110.478 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.58 ' CE2' ' CG2' ' B' ' 78' ' ' VAL . 82.6 t80 -64.86 -41.28 95.8 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.559 ' CG2' ' CE2' ' B' ' 71' ' ' PHE . 78.3 t -58.33 -40.86 79.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.549 -177.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.29 -43.54 96.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.535 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.89 -39.88 95.23 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.716 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.58 ' CG2' ' CE2' ' B' ' 74' ' ' TYR . 53.1 t -58.72 -40.29 79.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.855 -179.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.52 87.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.994 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.18 -43.88 66.57 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.744 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.491 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 75.0 mt -64.93 -40.09 94.51 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -62.17 -42.56 99.38 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.226 -0.99 . . . . 0.0 109.808 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 89.3 t -63.97 -41.47 92.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.922 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.29 75.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.135 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 73.2 m -56.29 -35.75 67.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.31 -34.62 66.68 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.338 0.59 . . . . 0.0 110.238 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -53.51 -36.92 62.27 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.493 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -57.46 -45.51 84.67 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.513 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -63.5 -45.14 92.04 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.681 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -60.44 -33.83 73.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.3 -33.41 67.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.608 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -99.76 119.95 38.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.47 ' O ' ' OG ' ' B' ' 93' ' ' SER . 14.2 p . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.418 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 50.7 m -120.0 147.65 44.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.774 0.321 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.48 -38.37 90.87 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.27 -39.5 93.11 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.56 -178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.82 -40.75 89.49 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 119.693 -0.803 . . . . 0.0 108.903 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -65.03 -37.8 88.81 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.38 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.53 99.35 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.023 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.5 mtm -57.34 -40.44 78.01 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 118.348 -1.341 . . . . 0.0 108.542 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.59 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 98.0 mt-10 -67.3 -37.14 82.89 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.682 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.6 m -61.24 -42.82 99.28 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.231 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.47 -45.66 92.9 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.787 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.78 -41.42 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.637 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.59 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 86.6 m-20 -60.03 -39.29 85.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.641 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.99 -42.86 89.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.688 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 76.6 t80 -58.63 -49.14 78.58 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.231 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -62.67 -40.21 96.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.573 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.56 -43.97 97.5 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.433 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 34.7 m80 -101.05 -32.13 10.75 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -177.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m -62.64 -38.94 92.26 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.559 -0.856 . . . . 0.0 111.942 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.79 -28.89 72.47 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 115.85 1.1 . . . . 0.0 115.85 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 18' ' ' HIS . 51.9 pttt -56.17 -42.78 77.58 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.609 1.205 . . . . 0.0 112.475 -176.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.577 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 97.9 mt-10 -137.15 149.83 47.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.4 0.619 . . . . 0.0 112.064 178.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.87 -157.99 53.64 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.623 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -79.23 133.84 36.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.926 -0.637 . . . . 0.0 109.52 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -56.65 -38.7 72.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.938 0.875 . . . . 0.0 109.606 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.525 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 59.6 m-85 -70.85 -24.12 62.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.976 -1.465 . . . . 0.0 113.537 -178.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -114.27 142.88 45.72 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -100.42 134.55 43.2 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.352 -1.295 . . . . 0.0 108.349 175.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -94.39 161.09 14.38 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -51.52 -39.98 58.73 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.004 -1.078 . . . . 0.0 108.925 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -62.24 -51.11 69.06 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.154 -0.618 . . . . 0.0 112.227 177.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.577 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.7 mt-10 -64.1 -40.44 96.21 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.582 0.706 . . . . 0.0 111.065 -175.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -64.81 -41.18 95.98 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.394 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -60.56 -44.8 95.76 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 114.547 -1.206 . . . . 0.0 111.206 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -68.17 -37.33 80.88 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.774 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.422 ' CD2' ' ND1' ' A' ' 18' ' ' HIS . 93.1 mt -65.85 -46.91 76.77 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 119.054 -1.059 . . . . 0.0 111.676 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.6 mt -69.37 -42.13 75.59 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.836 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.9 -41.66 97.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.492 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.2 t -83.53 -45.63 13.35 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.344 -0.542 . . . . 0.0 112.369 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.487 ' N ' ' CG2' ' A' ' 39' ' ' THR . 76.3 mm-40 -71.48 -35.19 70.73 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.087 -178.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mp -124.28 48.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -55.33 -33.05 63.0 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.351 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.05 -62.41 1.67 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.404 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -58.63 -44.88 90.14 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.695 ' O ' ' N ' ' A' ' 47' ' ' ALA . 7.5 mp -96.08 -1.78 48.0 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.531 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 53.9 p30 -18.88 75.74 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 122.013 0.911 . . . . 0.0 112.595 -177.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.695 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -67.85 -15.67 63.73 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 114.264 -1.335 . . . . 0.0 111.816 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -53.98 -35.91 62.34 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.044 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 92.3 mttt -59.59 -36.69 76.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.491 0.662 . . . . 0.0 109.595 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 88.5 m-20 -136.53 89.74 2.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.053 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.15 -43.66 93.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.305 0.574 . . . . 0.0 111.487 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -58.23 -32.8 68.66 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.637 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.1 -30.46 62.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.637 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.2 t -57.71 -43.65 84.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.388 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.62 -40.42 91.82 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.617 0.722 . . . . 0.0 109.588 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt -61.01 -39.29 89.15 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.854 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.16 -45.87 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.047 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.473 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 ppp? -64.55 -35.61 81.53 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.998 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 58' ' ' MET . 82.9 tttt -57.73 -41.06 81.06 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.773 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.2 -36.4 84.05 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.352 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.44 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 88.4 mt -66.41 -36.45 82.85 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.536 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 49.9 t0 -79.66 98.38 6.92 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.032 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -77.38 -34.86 54.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.729 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 66' ' ' ASP . 44.3 p-10 -90.7 0.89 57.26 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.445 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 70.61 13.8 71.79 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.896 178.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.647 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.4 p30 -62.06 -33.47 74.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.647 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.51 -6.32 65.31 Favored Glycine 0 C--N 1.321 -0.26 0 N-CA-C 108.995 -1.642 . . . . 0.0 108.995 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 82.3 tt0 -111.68 141.87 44.74 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.7 t -105.14 132.8 51.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.494 0.664 . . . . 0.0 111.172 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.4 t0 -98.64 147.53 24.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.924 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.688 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 52.4 t80 -51.69 -37.71 51.85 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -59.01 -38.36 79.07 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.039 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 98.4 mt-10 -68.71 -42.29 77.89 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.46 0.647 . . . . 0.0 110.512 178.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -66.3 -43.0 87.51 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.402 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 30.6 m -65.2 -36.7 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -177.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.94 -40.37 78.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 118.616 -1.233 . . . . 0.0 110.722 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 tp -67.73 -41.77 82.94 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.39 -0.524 . . . . 0.0 112.368 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 p -59.19 -35.37 57.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 C-N-CA 119.713 -0.795 . . . . 0.0 111.369 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.4 -38.12 82.99 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.084 0.469 . . . . 0.0 110.002 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.03 -41.36 74.36 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.864 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.47 -39.24 93.95 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.2 t -59.35 -40.95 88.05 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.176 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.73 -40.28 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.29 75.07 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.7 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.0 m -54.46 -35.72 63.32 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.199 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -56.37 -34.8 67.0 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.363 0.601 . . . . 0.0 110.272 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -53.05 -38.21 62.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.257 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -57.12 -44.84 83.67 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.351 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -62.46 -41.43 98.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.909 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -57.89 -33.47 68.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.361 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.38 -32.42 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.536 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -54.92 -36.63 65.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.422 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.536 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.41 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 50.8 m -119.91 147.65 44.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.782 0.325 . . . . 0.0 110.524 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.32 -38.52 91.48 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.23 -39.56 93.2 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 120.023 -0.671 . . . . 0.0 111.569 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.74 -40.72 89.06 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.6 -0.84 . . . . 0.0 108.97 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.3 m -65.08 -37.64 88.18 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.467 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.57 99.41 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.047 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 54.2 mtm -57.26 -40.58 77.97 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 118.379 -1.329 . . . . 0.0 108.524 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.601 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.9 mt-10 -67.16 -37.23 83.4 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.739 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.0 m -61.18 -42.85 99.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.228 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.46 -45.6 93.13 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.71 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.7 mt -65.91 -41.35 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.597 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 86.6 m-20 -60.05 -39.35 85.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.626 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.88 -43.02 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 76.6 t80 -58.69 -49.01 79.16 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.25 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -62.64 -40.25 96.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.567 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.01 97.42 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.441 ' O ' ' HG2' ' B' ' 21' ' ' LYS . 34.9 m80 -101.05 -32.22 10.71 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -177.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m -62.51 -38.96 91.97 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.99 -178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.89 -28.86 72.57 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 115.748 1.059 . . . . 0.0 115.748 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' B' ' 18' ' ' HIS . 52.0 pttt -56.23 -42.68 77.66 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 118.622 1.211 . . . . 0.0 112.496 -176.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.571 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 97.9 mt-10 -137.26 149.83 47.4 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.412 0.625 . . . . 0.0 112.067 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.89 -158.02 53.65 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.637 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -79.17 133.83 36.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.87 -0.665 . . . . 0.0 109.523 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -56.69 -38.68 72.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.924 0.869 . . . . 0.0 109.642 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.51 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 59.3 m-85 -70.83 -24.13 62.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.891 -1.504 . . . . 0.0 113.513 -178.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -114.28 142.84 45.77 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.8 mt -100.49 134.61 43.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.342 -1.299 . . . . 0.0 108.274 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.3 t -94.48 160.93 14.43 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -51.43 -39.93 58.36 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 118.905 -1.118 . . . . 0.0 108.973 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -62.16 -51.16 68.95 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.216 -0.593 . . . . 0.0 112.197 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.571 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.7 mt-10 -64.18 -40.42 96.06 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.635 0.731 . . . . 0.0 110.983 -175.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -64.81 -41.15 96.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.402 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -60.59 -44.73 95.93 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.291 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -68.22 -37.34 80.73 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.77 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.413 ' CD2' ' ND1' ' B' ' 18' ' ' HIS . 93.1 mt -65.86 -46.88 76.83 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.685 178.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 75.1 mt -69.38 -42.07 75.66 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.826 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.92 -41.63 97.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.533 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.2 t -83.52 -45.7 13.28 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.357 -0.537 . . . . 0.0 112.365 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' B' ' 39' ' ' THR . 76.3 mm-40 -71.41 -35.26 70.93 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.107 -178.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mp -124.3 48.33 1.95 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -55.21 -33.22 62.87 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.305 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.01 -62.4 1.67 Allowed Glycine 0 CA--C 1.531 1.063 0 C-N-CA 120.989 -0.625 . . . . 0.0 112.331 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -58.73 -44.77 90.54 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.692 ' O ' ' N ' ' B' ' 47' ' ' ALA . 7.5 mp -96.13 -1.76 47.87 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.537 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 54.1 p30 -18.85 75.78 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 122.057 0.932 . . . . 0.0 112.62 -177.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.692 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -67.85 -15.75 63.77 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.806 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -53.94 -35.83 62.16 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.115 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.424 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 92.2 mttt -59.69 -36.59 76.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.526 0.679 . . . . 0.0 109.597 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 88.4 m-20 -136.53 89.74 2.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.078 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.09 -43.87 93.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.255 0.55 . . . . 0.0 111.441 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -58.16 -32.64 68.39 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.7 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.31 -30.36 62.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.547 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.74 -43.61 84.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.438 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -60.64 -40.38 91.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.579 0.704 . . . . 0.0 109.621 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -61.0 -39.26 89.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.88 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.15 -45.86 89.16 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.021 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.478 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -64.48 -35.74 81.92 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.924 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.431 ' N ' ' HG3' ' B' ' 58' ' ' MET . 82.9 tttt -57.6 -41.03 80.4 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.812 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.31 -36.39 83.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.261 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.436 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 88.5 mt -66.44 -36.45 82.82 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.523 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 49.9 t0 -79.66 98.37 6.92 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.977 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -77.33 -34.94 55.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.76 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.413 ' ND2' ' HB3' ' B' ' 66' ' ' ASP . 44.1 p-10 -90.73 1.03 57.22 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.439 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 70.54 13.96 71.75 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.792 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.652 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.6 p30 -62.17 -33.44 74.52 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.652 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.58 -6.47 65.23 Favored Glycine 0 CA--C 1.518 0.244 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.468 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 82.2 tt0 -111.65 141.86 44.71 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 45.7 t -105.11 132.83 50.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.479 0.657 . . . . 0.0 111.172 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.5 t0 -98.75 147.48 24.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.822 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 52.2 t80 -51.62 -37.72 51.39 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -58.92 -38.42 78.89 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.065 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 98.5 mt-10 -68.69 -42.29 77.98 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.488 0.661 . . . . 0.0 110.495 178.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -66.36 -43.11 86.91 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.416 ' CG1' ' CZ ' ' B' ' 71' ' ' PHE . 30.5 m -65.16 -36.73 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.98 -40.33 78.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 C-N-CA 118.665 -1.214 . . . . 0.0 110.75 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 tp -67.8 -41.74 82.66 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 p -59.23 -35.33 57.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.354 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.439 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.39 -38.15 83.07 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.566 -0.453 . . . . 0.0 109.984 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.98 -41.31 74.61 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.883 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.6 -39.16 93.66 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.2 t -59.31 -40.9 87.71 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.236 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.8 -40.25 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.3 75.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.724 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 71.0 m -54.51 -35.59 63.3 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.224 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -56.4 -34.89 67.16 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.386 0.612 . . . . 0.0 110.264 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -53.01 -38.15 62.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.3 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -57.14 -44.85 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.338 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -62.53 -41.33 98.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.851 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -57.87 -33.59 68.86 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.31 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.39 -32.42 71.29 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.488 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -54.87 -36.68 65.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.416 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.219 -0.552 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.525 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.431 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 40.1 m -63.03 155.62 27.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 110.508 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.19 -35.46 78.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.843 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.401 ' CD2' ' C ' ' A' ' 4' ' ' LEU . 7.5 tt -59.34 -40.37 86.16 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.95 -40.93 90.69 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.117 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.476 ' O ' ' OG1' ' A' ' 10' ' ' THR . 47.7 m -65.78 -38.09 88.08 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.183 177.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.31 -51.59 62.71 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -39.14 88.94 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 118.709 -1.196 . . . . 0.0 110.031 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.492 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.8 mt-10 -65.43 -37.1 85.91 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.756 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' A' ' 6' ' ' THR . 51.2 m -61.56 -43.08 99.52 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.746 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.542 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 92.3 mt -61.9 -43.02 99.7 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.794 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.8 mt -63.61 -46.67 94.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.777 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 84.2 m-20 -61.93 -40.62 96.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.181 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.1 t -67.83 -46.12 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.146 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.569 ' CE2' ' CE2' ' A' ' 74' ' ' TYR . 2.0 m-85 -64.57 -48.12 76.2 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 121.537 0.684 . . . . 0.0 109.97 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -62.77 -40.23 96.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.96 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.04 92.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.211 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.497 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 62.7 m170 -88.36 -28.37 21.02 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.756 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.1 t -59.06 -36.42 75.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.17 0.51 . . . . 0.0 111.271 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.44 -29.58 60.77 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 115.558 -0.747 . . . . 0.0 113.601 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.497 ' NZ ' ' O ' ' A' ' 18' ' ' HIS . 31.7 mtmm -56.89 -39.87 75.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.904 0.852 . . . . 0.0 111.995 -177.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.544 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -139.16 141.11 38.02 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.416 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.39 -163.59 52.89 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 178.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.31 143.47 48.67 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.859 0.361 . . . . 0.0 110.198 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.57 -39.03 82.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 122.352 1.072 . . . . 0.0 109.33 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 68.3 m-85 -69.18 -27.59 65.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 113.204 -1.816 . . . . 0.0 113.232 -177.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -112.75 142.71 45.06 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.458 ' CD1' ' CE2' ' A' ' 74' ' ' TYR . 87.3 mt -99.56 138.79 36.16 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.53 -1.214 . . . . 0.0 108.768 175.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -100.45 163.65 12.27 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.584 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 86.0 tttt -52.76 -41.46 64.08 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.229 -177.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.1 -51.46 69.03 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.825 -0.75 . . . . 0.0 111.998 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.544 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.7 mt-10 -63.58 -39.32 94.08 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.774 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.0 -41.33 99.55 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.248 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' NZ ' ' NE2' ' A' ' 38' ' ' GLN . 14.8 tptp -61.28 -46.74 89.08 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.236 176.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.59 -36.11 81.83 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.033 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.502 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -68.23 -47.69 67.11 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 119.721 -0.791 . . . . 0.0 111.443 179.603 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' CD2' ' HH ' ' A' ' 74' ' ' TYR . 70.6 mt -68.5 -44.07 75.49 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 119.416 -0.913 . . . . 0.0 110.983 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.458 ' NE2' ' NZ ' ' A' ' 34' ' ' LYS . 51.8 tt0 -64.25 -42.17 96.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.471 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.1 t -80.38 -43.0 21.81 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.196 -0.602 . . . . 0.0 112.297 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.446 ' N ' ' CG2' ' A' ' 39' ' ' THR . 77.0 mm-40 -71.33 -35.72 71.32 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.593 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mp -126.31 58.39 1.37 Allowed 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.277 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -55.14 -32.12 61.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.552 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.94 -67.54 1.38 Allowed Glycine 0 CA--C 1.53 1.013 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.078 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -58.52 -44.4 89.5 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.653 ' O ' ' N ' ' A' ' 47' ' ' ALA . 59.5 mt -92.72 -1.79 56.55 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.541 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 55.8 p30 -20.74 78.59 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.848 0.832 . . . . 0.0 112.497 -178.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.653 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -63.35 -24.45 67.86 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 114.838 -1.073 . . . . 0.0 111.206 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.45 -34.33 64.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.31 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.492 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 74.9 mmtt -58.68 -36.76 74.71 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 90.8 m-20 -140.8 88.21 2.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.296 -1.32 . . . . 0.0 110.469 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.51 -39.31 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.948 0.404 . . . . 0.0 110.636 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.639 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.7 p30 -61.38 -30.8 70.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.663 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.639 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -59.11 -30.85 68.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.599 -178.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -57.87 -44.07 85.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.329 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.584 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 86.3 m-20 -60.99 -41.47 96.57 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.796 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -60.14 -39.07 85.04 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.698 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.23 -45.16 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.344 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.486 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.5 ppp? -65.78 -38.35 88.81 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.964 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' N ' ' HG3' ' A' ' 58' ' ' MET . 92.5 mttt -59.32 -38.14 79.53 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 119.564 -0.854 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.42 -38.16 90.05 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.354 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.431 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 81.5 mt -67.6 -36.59 81.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.664 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -98.0 33.87 2.04 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.876 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -52.17 -30.52 27.3 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 121.585 0.707 . . . . 0.0 109.273 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.529 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 12.5 m120 -52.91 -34.39 54.83 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.752 -178.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.32 3.9 62.96 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.686 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.5 p30 -61.47 -35.88 78.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.829 -0.686 . . . . 0.0 112.083 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.686 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 93.59 -10.83 72.31 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -119.48 149.51 41.77 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.0 t -97.02 128.63 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.678 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -88.06 130.78 34.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.276 -1.329 . . . . 0.0 110.425 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -50.59 -42.52 55.89 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.818 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.73 -42.23 88.27 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.667 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.529 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.4 mt-10 -67.4 -39.77 85.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.07 0.462 . . . . 0.0 111.593 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.569 ' CE2' ' CE2' ' A' ' 15' ' ' PHE . 23.1 t80 -64.55 -44.19 91.56 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -179.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.5 m -67.39 -34.71 70.51 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.554 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.8 t -61.51 -44.52 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.195 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.7 tp -64.82 -39.19 93.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.977 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.403 ' O ' HG22 ' A' ' 82' ' ' THR . 52.6 t -58.56 -39.53 75.88 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.76 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.407 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -57.14 -39.25 74.83 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.501 -178.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.77 75.69 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.369 -0.533 . . . . 0.0 111.318 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.68 -38.86 92.72 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.556 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 0.6 OUTLIER -60.39 -40.38 90.72 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.329 -0.948 . . . . 0.0 109.786 -179.611 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.95 -42.09 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.66 -31.83 73.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.785 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -55.55 -40.55 72.04 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.142 -179.313 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.589 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 19.2 t-20 -58.64 -38.24 77.68 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.408 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -53.78 -38.53 64.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.935 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -64.53 -38.21 90.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.882 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -59.14 -45.99 89.53 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.199 0.523 . . . . 0.0 109.603 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.589 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 90.3 m95 -59.22 -34.74 72.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.235 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.18 -33.34 67.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.584 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -55.48 -34.46 64.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.597 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.573 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.439 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 40.5 m -63.03 155.63 27.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.722 0.296 . . . . 0.0 110.517 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.12 -35.58 79.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.843 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.5 tt -59.2 -40.51 85.99 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.02 -40.96 91.1 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.021 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.487 ' O ' ' OG1' ' B' ' 10' ' ' THR . 47.5 m -65.69 -38.09 88.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.203 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.32 -51.63 62.5 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.514 -0.766 . . . . 0.0 113.01 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -39.26 89.03 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.139 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.493 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.8 mt-10 -65.29 -37.17 86.33 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.746 178.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' B' ' 6' ' ' THR . 51.9 m -61.59 -43.1 99.48 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.68 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.538 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 92.7 mt -61.88 -43.03 99.68 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.792 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.431 HG23 HD11 ' B' ' 12' ' ' ILE . 79.9 mt -63.62 -46.64 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.725 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 84.2 m-20 -62.01 -40.58 96.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.164 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 75.8 t -67.82 -46.15 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.191 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.561 ' CE2' ' CE2' ' B' ' 74' ' ' TYR . 2.0 m-85 -64.43 -48.22 76.13 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.591 0.71 . . . . 0.0 109.97 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -62.77 -40.24 96.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.95 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.1 92.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.204 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.504 ' O ' ' NZ ' ' B' ' 21' ' ' LYS . 62.6 m170 -88.38 -28.41 20.97 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.732 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -59.06 -36.32 74.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.15 0.5 . . . . 0.0 111.374 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.49 -29.63 60.97 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-N 115.526 -0.761 . . . . 0.0 113.581 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' B' ' 18' ' ' HIS . 31.7 mtmm -56.89 -39.78 75.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.958 0.879 . . . . 0.0 111.954 -177.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.9 mm-40 -139.18 141.03 37.98 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.29 -0.564 . . . . 0.0 111.374 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.49 -163.53 53.07 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.49 -0.862 . . . . 0.0 110.98 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -72.41 143.47 48.51 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.81 0.338 . . . . 0.0 110.19 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.59 -38.92 82.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 122.288 1.042 . . . . 0.0 109.356 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.504 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 68.8 m-85 -69.27 -27.55 65.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.181 -1.827 . . . . 0.0 113.222 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -112.79 142.69 45.13 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.458 ' CD1' ' CE2' ' B' ' 74' ' ' TYR . 87.4 mt -99.51 138.83 36.05 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 114.516 -1.22 . . . . 0.0 108.763 175.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -100.5 163.62 12.28 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.599 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 85.9 tttt -52.79 -41.44 64.13 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.27 -177.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.01 -51.51 68.91 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.764 -0.775 . . . . 0.0 111.99 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.552 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.7 mt-10 -63.59 -39.24 93.87 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.81 -176.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.08 -41.31 99.4 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.244 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.47 ' NZ ' ' NE2' ' B' ' 38' ' ' GLN . 14.8 tptp -61.26 -46.77 89.0 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.228 176.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.54 -36.15 81.97 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.082 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.493 HD23 ' N ' ' B' ' 36' ' ' LEU . 0.5 OUTLIER -68.16 -47.83 66.97 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 119.738 -0.785 . . . . 0.0 111.392 179.615 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.422 ' CD2' ' HH ' ' B' ' 74' ' ' TYR . 70.9 mt -68.38 -44.07 75.95 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.015 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.47 ' NE2' ' NZ ' ' B' ' 34' ' ' LYS . 51.8 tt0 -64.34 -42.17 96.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.45 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.0 t -80.28 -43.04 21.98 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.218 -0.593 . . . . 0.0 112.39 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.445 ' N ' ' CG2' ' B' ' 39' ' ' THR . 76.9 mm-40 -71.32 -35.71 71.33 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 119.985 -0.686 . . . . 0.0 111.659 -178.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mp -126.25 58.36 1.37 Allowed 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.291 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -55.15 -32.06 61.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.0 -67.58 1.37 Allowed Glycine 0 CA--C 1.53 0.989 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.041 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -58.49 -44.49 89.43 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.667 ' O ' ' N ' ' B' ' 47' ' ' ALA . 59.7 mt -92.63 -1.88 56.54 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.55 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 55.5 p30 -20.75 78.68 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.762 0.791 . . . . 0.0 112.454 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -63.4 -24.34 67.8 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.232 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -55.46 -34.35 64.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.321 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.506 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 75.0 mmtt -58.69 -36.9 74.96 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 91.0 m-20 -140.67 88.23 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.296 -1.32 . . . . 0.0 110.445 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.49 -39.34 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.954 0.407 . . . . 0.0 110.606 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.7 p30 -61.4 -30.81 70.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.659 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.651 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -59.03 -30.93 68.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.541 -178.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.84 -44.09 85.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.3 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.599 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 86.5 m-20 -60.97 -41.51 96.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.486 0.66 . . . . 0.0 109.783 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -60.22 -38.97 85.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.978 -0.689 . . . . 0.0 109.729 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.28 -45.07 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.316 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.482 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.5 ppp? -65.84 -38.36 88.68 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.111 -0.636 . . . . 0.0 111.933 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' B' ' 58' ' ' MET . 92.5 mttt -59.26 -38.22 79.55 Favored 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 119.473 -0.891 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.35 -38.22 90.27 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.35 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.432 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 81.5 mt -67.48 -36.68 81.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.689 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -98.01 33.93 2.03 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.924 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -52.17 -30.44 26.93 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 121.544 0.688 . . . . 0.0 109.321 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.533 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 12.6 m120 -53.04 -34.26 55.64 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.71 -177.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.28 3.88 63.04 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 108.725 -1.75 . . . . 0.0 108.725 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.691 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.6 p30 -61.54 -35.8 78.77 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.848 -0.676 . . . . 0.0 112.064 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.691 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 93.57 -10.87 72.3 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -119.44 149.53 41.71 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 56.3 t -97.07 128.65 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 119.734 -0.787 . . . . 0.0 110.657 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -87.98 130.75 34.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.143 -1.389 . . . . 0.0 110.448 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -50.51 -42.58 55.09 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.875 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.76 -42.19 88.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.671 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.533 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.4 mt-10 -67.4 -39.74 85.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.125 0.488 . . . . 0.0 111.561 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.561 ' CE2' ' CE2' ' B' ' 15' ' ' PHE . 23.0 t80 -64.62 -44.17 91.41 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.938 -178.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.4 m -67.49 -34.64 69.75 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.485 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.6 -44.46 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.208 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 28.7 tp -64.87 -39.13 93.07 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.009 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.0 t -58.51 -39.48 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.825 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.405 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -57.19 -39.23 74.96 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.548 -178.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.43 -41.8 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.24 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.81 -38.74 92.22 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.567 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 0.6 OUTLIER -60.46 -40.41 91.08 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 119.374 -0.93 . . . . 0.0 109.75 -179.629 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.6 t -61.94 -42.09 93.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.67 -31.78 73.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.836 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -55.56 -40.5 72.03 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.134 -179.377 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.598 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 19.1 t-20 -58.68 -38.3 77.92 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.34 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -53.72 -38.62 64.48 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.864 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -64.5 -38.22 90.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.896 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -59.14 -46.01 89.47 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.202 0.525 . . . . 0.0 109.626 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.598 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 90.2 m95 -59.32 -34.55 72.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.266 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.27 -33.39 67.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.563 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -55.48 -34.44 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.624 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.57 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -119.95 148.5 43.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.818 0.342 . . . . 0.0 110.57 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -61.56 -35.24 77.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.432 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 30.6 tp -58.0 -40.88 81.83 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.866 -178.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.58 -40.99 93.74 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.219 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.8 m -65.84 -38.71 89.62 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.347 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.3 89.27 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.833 -177.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 57.4 mtm -58.25 -40.81 82.76 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 118.466 -1.293 . . . . 0.0 109.077 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 97.8 mt-10 -67.36 -36.66 81.84 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.458 178.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.7 m -61.7 -43.4 98.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.526 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.6 -47.65 82.88 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.466 0.651 . . . . 0.0 111.533 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.438 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 78.0 mt -66.1 -42.27 91.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.609 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 88.5 m-20 -61.23 -39.12 89.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.259 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 15' ' ' PHE . 18.6 m -78.48 -48.57 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 119.459 -0.896 . . . . 0.0 112.125 -179.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.424 ' O ' ' OG ' ' A' ' 19' ' ' SER . 65.6 m-85 -66.71 -41.1 88.51 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 119.223 -0.991 . . . . 0.0 111.444 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 85.0 t60 -60.96 -43.85 98.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.149 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.94 -51.37 56.02 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.57 -0.452 . . . . 0.0 112.176 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.42 ' CG ' ' CD2' ' A' ' 36' ' ' LEU . 88.7 m-70 -61.4 -42.74 99.2 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 20.0 m -58.68 -35.41 72.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.261 -178.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.05 -29.1 59.08 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.928 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -56.63 -40.64 75.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.478 0.639 . . . . 0.0 111.655 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.525 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -143.89 139.54 29.27 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.705 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.21 -166.15 54.75 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -72.6 143.9 48.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.819 0.342 . . . . 0.0 110.259 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -59.79 -39.08 83.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 122.418 1.104 . . . . 0.0 109.197 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 69.1 m-85 -69.76 -24.77 63.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 113.056 -1.884 . . . . 0.0 112.853 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.507 ' CB ' ' OE2' ' A' ' 68' ' ' GLU . 17.2 mmtm -112.42 143.06 44.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.429 0.633 . . . . 0.0 112.677 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.6 mt -98.67 133.23 43.3 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.55 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -89.18 155.82 19.18 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.589 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 64.4 tttt -53.6 -39.87 65.24 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 118.779 -1.168 . . . . 0.0 108.439 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.67 -51.98 65.09 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.525 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.4 mt-10 -63.14 -40.14 96.72 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.674 -176.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.51 -44.58 96.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.524 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.711 ' HZ2' ' NE2' ' A' ' 38' ' ' GLN . 17.5 tptp -60.54 -44.84 95.67 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.393 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -69.25 -38.58 78.53 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.591 -1.186 . . . . 0.0 112.092 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.42 ' CD2' ' CG ' ' A' ' 18' ' ' HIS . 44.6 mt -68.13 -47.8 67.13 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.034 -0.667 . . . . 0.0 112.26 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.1 mt -69.54 -42.05 75.13 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.499 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.711 ' NE2' ' HZ2' ' A' ' 34' ' ' LYS . 51.7 tt0 -64.83 -41.88 95.38 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.984 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.9 t -83.3 -47.07 11.89 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.73 -0.788 . . . . 0.0 112.32 -178.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.479 ' N ' ' CG2' ' A' ' 39' ' ' THR . 95.3 mt-10 -72.92 -33.91 66.27 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.18 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mp -122.72 51.52 1.4 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.454 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -58.07 -25.43 61.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.28 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.55 -69.35 1.3 Allowed Glycine 0 CA--C 1.529 0.953 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.666 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -58.64 -43.61 89.81 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.714 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -91.35 -3.43 56.78 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.531 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 55.1 p30 -20.42 72.12 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -177.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.714 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -66.56 -22.27 66.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.075 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -55.25 -35.71 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.862 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.491 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 12.1 mtpp -59.22 -35.25 73.31 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.053 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.0 m-20 -138.67 99.95 3.95 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.428 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.33 -40.8 87.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.926 0.393 . . . . 0.0 110.748 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.8 p30 -62.4 -30.91 71.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.191 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.653 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -60.17 -27.35 67.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.947 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.3 t -56.76 -43.56 79.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.987 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.589 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 90.1 m-20 -59.29 -41.04 88.04 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 119.55 -0.86 . . . . 0.0 108.86 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.54 -38.31 89.53 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.719 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.52 -47.41 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.184 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.679 ' SD ' ' ND2' ' A' ' 64' ' ' ASN . 2.6 ppp? -67.03 -39.26 86.95 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 119.408 -0.917 . . . . 0.0 110.445 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 62' ' ' ASP . 44.1 tttm -59.69 -43.05 94.19 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.914 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.11 -36.95 84.52 Favored 'General case' 0 C--N 1.334 -0.078 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.958 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 73.0 mt -65.86 -56.12 13.48 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.404 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.468 ' OD2' ' N ' ' A' ' 70' ' ' ASP . 21.0 m-20 -116.25 145.96 42.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.316 177.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -68.53 -29.27 67.81 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.679 ' ND2' ' SD ' ' A' ' 58' ' ' MET . 86.7 m-20 56.27 41.92 28.58 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 112.848 -1.978 . . . . 0.0 115.589 177.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.54 -32.89 61.63 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 104.631 -3.388 . . . . 0.0 104.631 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.741 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 44.9 p30 -64.28 -35.88 82.3 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 112.469 -1.865 . . . . 0.0 112.081 178.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.741 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 92.46 -10.35 74.32 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 -178.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.507 ' OE2' ' CB ' ' A' ' 27' ' ' LYS . 83.9 tt0 -115.7 148.36 39.83 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.5 t -97.42 128.38 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 118.863 -1.135 . . . . 0.0 110.845 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.468 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 60.8 t0 -91.73 129.58 37.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.27 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.456 ' CE2' ' CG1' ' A' ' 75' ' ' VAL . 79.2 t80 -52.52 -41.74 63.74 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.695 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -57.38 -41.97 81.25 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.513 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.423 ' CB ' ' OD1' ' A' ' 62' ' ' ASP . 98.7 mt-10 -68.2 -38.7 82.23 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.135 0.493 . . . . 0.0 110.911 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -62.86 -42.17 99.65 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.456 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 33.0 m -65.83 -32.21 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.015 -178.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.76 -50.22 78.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 118.996 -1.082 . . . . 0.0 111.539 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.8 tp -73.91 -38.89 64.2 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 p -56.28 -33.01 36.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 119.611 -0.835 . . . . 0.0 110.269 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -58.09 -38.02 75.62 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.28 -38.06 78.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.127 0.489 . . . . 0.0 109.922 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.91 -39.76 95.52 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.59 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -61.06 -40.77 94.93 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 119.165 -1.014 . . . . 0.0 109.468 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.11 -41.2 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.65 74.29 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.896 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 78.2 m -53.75 -38.22 64.18 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.206 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -58.83 -36.42 74.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.205 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -53.43 -40.28 65.04 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.446 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -63.31 -37.59 87.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.988 177.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.21 -45.38 91.26 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.203 0.525 . . . . 0.0 109.599 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -58.75 -34.68 71.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.349 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.65 -32.6 72.77 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.547 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.569 ' O ' ' CB ' ' A' ' 93' ' ' SER . 34.3 t30 -100.4 128.82 46.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.528 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 1.3 t . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.704 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -119.91 148.53 43.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.813 0.34 . . . . 0.0 110.618 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -61.64 -35.2 77.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.493 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.427 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 30.4 tp -58.02 -40.83 81.83 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.857 -178.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.57 -41.03 93.78 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.209 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.9 m -65.76 -38.78 90.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.388 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.33 89.22 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.759 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 57.4 mtm -58.33 -40.84 83.18 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 118.446 -1.302 . . . . 0.0 109.016 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 97.8 mt-10 -67.29 -36.6 81.87 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.469 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.3 m -61.83 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.512 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.49 -47.76 82.54 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.519 0.676 . . . . 0.0 111.516 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.444 ' O ' ' CB ' ' B' ' 16' ' ' HIS . 78.2 mt -66.09 -42.22 90.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.627 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 88.0 m-20 -61.27 -39.11 89.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.324 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.418 HG22 ' N ' ' B' ' 15' ' ' PHE . 18.6 m -78.42 -48.59 22.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.102 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.421 ' O ' ' OG ' ' B' ' 19' ' ' SER . 65.6 m-85 -66.72 -41.2 88.32 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 119.255 -0.978 . . . . 0.0 111.407 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.444 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 85.1 t60 -60.84 -43.97 97.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.124 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.91 -51.31 56.83 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.422 ' CG ' ' CD2' ' B' ' 36' ' ' LEU . 88.6 m-70 -61.39 -42.87 99.41 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 19.9 m -58.58 -35.37 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.076 0.465 . . . . 0.0 111.334 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.1 -29.16 59.29 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.861 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -56.63 -40.64 75.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.488 0.644 . . . . 0.0 111.625 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.51 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -143.81 139.57 29.4 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.671 178.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.32 -166.25 54.71 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.556 -1.018 . . . . 0.0 110.556 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.64 143.89 47.99 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 120.843 0.354 . . . . 0.0 110.313 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -59.78 -39.07 83.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 122.393 1.092 . . . . 0.0 109.225 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.509 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 68.1 m-85 -69.65 -24.9 63.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 113.025 -1.898 . . . . 0.0 112.897 -177.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.505 ' CB ' ' OE2' ' B' ' 68' ' ' GLU . 17.2 mmtm -112.37 142.96 44.25 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.5 mt -98.65 133.3 43.17 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.544 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.8 t -89.22 155.82 19.16 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.582 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 64.5 tttt -53.6 -39.93 65.28 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 118.757 -1.177 . . . . 0.0 108.374 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.62 -51.93 65.36 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.51 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.6 mt-10 -63.23 -40.15 96.64 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.622 -176.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.4 -44.73 95.74 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.537 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.72 ' HZ2' ' NE2' ' B' ' 38' ' ' GLN . 17.6 tptp -60.45 -44.78 95.48 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.498 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -69.21 -38.6 78.66 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 114.606 -1.179 . . . . 0.0 112.124 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.422 ' CD2' ' CG ' ' B' ' 18' ' ' HIS . 44.8 mt -68.21 -47.76 67.02 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.227 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 64.0 mt -69.59 -41.98 75.04 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.552 -0.859 . . . . 0.0 110.519 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.72 ' NE2' ' HZ2' ' B' ' 34' ' ' LYS . 51.7 tt0 -64.82 -41.95 95.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.959 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.489 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.9 t -83.29 -46.92 12.07 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.654 -0.818 . . . . 0.0 112.349 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.489 ' N ' ' CG2' ' B' ' 39' ' ' THR . 95.3 mt-10 -73.01 -33.88 66.03 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.175 -178.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mp -122.68 51.42 1.41 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.479 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -57.97 -25.41 60.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.297 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.61 -69.34 1.3 Allowed Glycine 0 CA--C 1.53 1.016 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.655 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -58.61 -43.64 89.69 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.719 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.5 OUTLIER -91.34 -3.4 56.82 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.532 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 55.1 p30 -20.45 72.15 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -177.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.719 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -66.61 -22.28 66.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.077 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -55.3 -35.72 65.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.795 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.488 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 12.1 mtpp -59.2 -35.25 73.25 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.068 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 90.8 m-20 -138.69 99.92 3.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.483 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 78.4 t -61.36 -40.79 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 110.753 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.8 p30 -62.26 -31.04 71.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.257 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.645 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -60.16 -27.32 67.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.978 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -56.61 -43.56 79.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.03 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.582 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 90.1 m-20 -59.3 -41.04 88.04 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 119.521 -0.872 . . . . 0.0 108.895 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.55 -38.33 89.64 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.589 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.9 t -63.57 -47.38 91.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.11 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.685 ' SD ' ' ND2' ' B' ' 64' ' ' ASN . 2.6 ppp? -67.11 -39.26 86.64 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 119.364 -0.935 . . . . 0.0 110.439 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' B' ' 62' ' ' ASP . 44.1 tttm -59.59 -43.03 93.83 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.978 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.14 -37.03 84.7 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.991 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -65.79 -56.06 13.95 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.507 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' B' ' 70' ' ' ASP . 20.9 m-20 -116.26 145.89 42.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.273 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -68.44 -29.29 67.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 105.58 -2.008 . . . . 0.0 105.58 174.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.685 ' ND2' ' SD ' ' B' ' 58' ' ' MET . 86.6 m-20 56.19 41.92 28.76 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 112.854 -1.975 . . . . 0.0 115.607 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.54 -32.83 61.56 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 104.68 -3.368 . . . . 0.0 104.68 174.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.744 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 44.9 p30 -64.36 -35.78 82.0 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 112.467 -1.867 . . . . 0.0 112.091 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.744 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 92.34 -10.28 74.55 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.505 ' OE2' ' CB ' ' B' ' 27' ' ' LYS . 84.0 tt0 -115.61 148.39 39.68 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 42.6 t -97.48 128.38 48.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 118.849 -1.141 . . . . 0.0 110.834 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.448 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 60.8 t0 -91.68 129.63 37.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.065 -1.425 . . . . 0.0 111.226 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.452 ' CE2' ' CG1' ' B' ' 75' ' ' VAL . 79.3 t80 -52.53 -41.74 63.76 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.668 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -57.51 -41.83 81.59 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.495 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.415 ' CB ' ' OD1' ' B' ' 62' ' ' ASP . 98.7 mt-10 -68.21 -38.79 82.3 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.18 0.514 . . . . 0.0 110.921 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -62.74 -42.29 99.59 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.452 ' CG1' ' CE2' ' B' ' 71' ' ' PHE . 32.9 m -65.7 -32.34 57.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.028 -0.669 . . . . 0.0 112.063 -178.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.65 -50.22 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 119.0 -1.08 . . . . 0.0 111.588 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.7 tp -73.87 -38.95 64.28 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 p -56.28 -33.07 36.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.233 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.448 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -58.0 -38.01 75.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.32 -38.01 78.02 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.422 -0.511 . . . . 0.0 109.95 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.95 -39.67 95.33 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.658 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 0.6 OUTLIER -61.14 -40.66 94.66 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.492 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.19 -41.17 90.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.13 -32.67 74.33 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.83 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 78.2 m -53.71 -38.26 64.11 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.217 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -58.92 -36.22 74.38 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.26 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -53.46 -40.21 65.07 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 119.959 -0.696 . . . . 0.0 109.431 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -63.54 -37.49 87.52 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.881 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.18 -45.36 91.25 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.307 0.575 . . . . 0.0 109.656 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -58.76 -34.71 71.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.343 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.56 -32.78 72.88 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.459 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.563 ' O ' ' CB ' ' B' ' 93' ' ' SER . 34.5 t30 -100.44 128.96 46.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.475 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.563 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 1.3 t . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.697 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 p -69.82 161.93 28.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.604 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.37 -35.22 78.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 36.3 tp -59.2 -39.82 83.8 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.438 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.72 -40.92 89.62 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 119.35 -0.94 . . . . 0.0 108.772 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 m -66.14 -38.0 87.05 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.206 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.37 80.97 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.922 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.9 mtm -58.12 -42.48 85.86 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 119.132 -1.027 . . . . 0.0 108.942 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.09 -38.44 88.25 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 113.528 -1.669 . . . . 0.0 109.938 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.2 m -61.74 -43.09 99.52 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.05 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.41 -43.64 96.51 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.375 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.33 -42.77 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.501 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -59.83 -39.03 83.74 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.286 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.504 ' CG1' ' OE2' ' A' ' 40' ' ' GLU . 81.1 t -65.33 -43.52 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.505 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 73.6 t80 -60.04 -52.89 63.44 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.964 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.64 -40.91 98.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.771 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.24 98.95 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -98.84 -49.89 4.4 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.497 ' OG ' ' CD2' ' A' ' 28' ' ' LEU . 17.1 m -59.52 -37.3 77.99 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.77 -177.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.04 -36.42 92.27 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.467 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -59.58 -36.52 76.4 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -177.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -120.82 149.81 42.0 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.718 0.771 . . . . 0.0 112.906 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.82 -148.45 49.81 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 114.607 -1.179 . . . . 0.0 112.363 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -82.92 129.66 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.44 -0.88 . . . . 0.0 109.895 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.556 ' C ' ' H ' ' A' ' 27' ' ' LYS . 90.9 mttt -69.17 165.17 20.99 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 60.06 0.46 0.28 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.609 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.596 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 33.0 tptt -126.94 135.63 51.16 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.529 ' O ' ' O ' ' A' ' 69' ' ' VAL . 0.7 OUTLIER -101.94 128.13 48.49 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.779 -177.063 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -104.0 160.03 15.17 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -55.31 -40.2 70.83 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.428 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -59.39 -48.73 80.51 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.428 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.45 -38.44 89.79 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.747 -177.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.27 -42.94 99.18 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.207 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.599 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -61.84 -47.05 86.8 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.86 178.178 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -69.19 -38.3 78.57 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 120.298 -0.561 . . . . 0.0 112.061 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.42 -49.72 70.42 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 119.631 -0.828 . . . . 0.0 112.088 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.7 mt -69.77 -42.91 73.21 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.517 -0.873 . . . . 0.0 111.235 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.599 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.8 tt0 -63.88 -42.66 97.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.316 -0.856 . . . . 0.0 113.082 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.5 t -82.79 -46.27 13.3 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.853 -0.739 . . . . 0.0 112.419 -178.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.504 ' OE2' ' CG1' ' A' ' 14' ' ' VAL . 95.7 mt-10 -72.94 -35.52 67.01 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.658 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.2 mt -123.72 53.85 1.34 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.792 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -55.26 -32.36 62.28 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.593 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.53 -67.42 1.53 Allowed Glycine 0 CA--C 1.532 1.144 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.496 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -58.24 -43.51 87.84 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.685 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -90.43 -3.78 57.45 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.533 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 53.8 p30 -20.9 77.24 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.78 0.8 . . . . 0.0 112.564 -177.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.685 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -63.87 -24.76 67.87 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.28 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.52 -34.76 64.95 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.397 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.508 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 72.1 mmtt -59.01 -37.66 77.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.3 m-20 -142.32 89.13 2.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.255 -1.339 . . . . 0.0 110.502 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.45 -39.17 81.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.97 0.414 . . . . 0.0 110.547 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.4 p30 -61.8 -29.56 70.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.558 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.645 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -58.09 -30.52 66.31 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -57.08 -45.63 84.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.536 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -63.31 -39.31 94.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.431 0.634 . . . . 0.0 110.315 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -60.21 -42.02 94.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.483 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 m -76.48 -37.17 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 C-N-CA 119.426 -0.91 . . . . 0.0 111.577 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.492 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -62.71 -34.94 78.19 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.512 179.046 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 58' ' ' MET . 81.3 tttt -58.21 -41.12 83.35 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 120.161 -0.615 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.95 -37.09 86.49 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.473 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.506 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 81.9 mt -66.43 -36.13 82.04 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.491 0.663 . . . . 0.0 110.501 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -88.94 36.2 0.81 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.737 -1.119 . . . . 0.0 113.383 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -50.33 -30.47 12.15 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.468 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.532 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 14.0 m120 -52.39 -30.74 30.62 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.131 -178.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.24 4.31 56.42 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 108.517 -1.833 . . . . 0.0 108.517 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.462 ' C ' ' OD1' ' A' ' 66' ' ' ASP . 50.8 p30 -83.52 171.91 12.91 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-O 121.83 0.824 . . . . 0.0 109.611 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -99.69 -7.41 53.55 Favored Glycine 0 C--N 1.3 -1.425 0 CA-C-N 114.284 -1.326 . . . . 0.0 111.159 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.419 ' OE2' ' CG ' ' A' ' 27' ' ' LYS . 77.4 tt0 -116.22 150.64 37.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.8 0.333 . . . . 0.0 110.324 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.529 ' O ' ' O ' ' A' ' 28' ' ' LEU . 58.8 t -106.71 133.28 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.596 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 87.3 m-20 -85.43 145.75 27.3 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.341 178.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.609 ' CZ ' ' CG1' ' A' ' 75' ' ' VAL . 71.0 t80 -55.1 -39.27 69.14 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.357 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -55.41 -41.0 72.13 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 119.671 -0.811 . . . . 0.0 109.021 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.532 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 97.5 mt-10 -68.04 -38.81 82.95 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.996 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -62.76 -44.29 96.58 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.609 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 34.5 m -68.24 -36.07 73.71 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.7 t -63.82 -45.98 95.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 119.213 -0.995 . . . . 0.0 110.469 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.3 tp -68.51 -41.57 79.79 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 p -59.15 -33.57 50.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 C-N-CA 119.899 -0.72 . . . . 0.0 111.453 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.426 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -58.91 -37.57 76.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.59 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.3 -42.81 74.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.3 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.402 HD11 ' N ' ' A' ' 81' ' ' LEU . 7.0 mp -65.31 -38.38 90.01 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.1 t -57.84 -40.73 80.77 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.556 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.43 -42.14 92.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.04 0.448 . . . . 0.0 109.995 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.66 76.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.966 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.7 m -57.1 -37.03 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -56.83 -38.72 73.02 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.634 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -53.84 -40.08 66.15 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.522 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -63.18 -37.92 89.14 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.038 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -59.14 -45.63 90.46 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.666 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -58.49 -34.68 71.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.46 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.31 -32.93 72.79 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.77 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -55.57 -34.52 64.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.543 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.627 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -69.81 161.84 29.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.743 0.306 . . . . 0.0 110.618 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.26 -35.3 78.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.444 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 35.9 tp -59.11 -39.78 83.35 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.507 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.86 -40.92 90.23 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.744 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.7 m -66.07 -37.95 87.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.246 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.85 -47.33 81.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.982 -177.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 51.1 mtm -58.19 -42.49 86.23 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.916 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -66.06 -38.44 88.32 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 113.586 -1.643 . . . . 0.0 109.916 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.4 m -61.76 -43.07 99.57 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.025 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.49 -43.59 96.85 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.425 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.1 mt -64.27 -42.84 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.552 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -59.72 -39.09 83.51 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.273 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.504 ' CG1' ' OE2' ' B' ' 40' ' ' GLU . 82.0 t -65.36 -43.49 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.504 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 73.3 t80 -59.93 -52.94 63.25 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.015 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.61 -41.0 98.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.711 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.3 98.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -98.82 -49.91 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.499 ' OG ' ' CD2' ' B' ' 28' ' ' LEU . 17.1 m -59.52 -37.23 77.81 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.727 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.16 -36.38 92.28 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.416 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -59.51 -36.58 76.35 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -120.82 149.83 41.97 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.781 0.801 . . . . 0.0 112.892 -177.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.87 -148.5 49.91 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 114.618 -1.173 . . . . 0.0 112.368 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -82.82 129.55 35.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.489 -0.855 . . . . 0.0 109.894 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.548 ' C ' ' H ' ' B' ' 27' ' ' LYS . 90.9 mttt -69.1 165.14 20.94 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 60.08 0.5 0.28 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.584 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.593 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 33.1 tptt -126.96 135.7 51.25 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.531 ' O ' ' O ' ' B' ' 69' ' ' VAL . 0.7 OUTLIER -101.96 128.07 48.54 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.995 0.426 . . . . 0.0 110.711 -177.014 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 79.1 p -103.98 160.09 15.11 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.416 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -55.42 -40.15 71.11 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.405 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -59.33 -48.72 80.57 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.512 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.49 -38.39 89.72 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.773 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.29 -42.95 99.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.157 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.601 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.9 OUTLIER -61.74 -47.12 86.66 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.919 178.133 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -69.1 -38.38 78.92 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.239 -0.584 . . . . 0.0 112.068 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.36 -49.67 70.72 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 119.59 -0.844 . . . . 0.0 112.167 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 66.4 mt -69.8 -42.89 73.14 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.466 -0.894 . . . . 0.0 111.225 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.601 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.8 tt0 -63.83 -42.73 97.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.052 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.5 t -82.71 -46.42 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.988 -0.685 . . . . 0.0 112.43 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.504 ' OE2' ' CG1' ' B' ' 14' ' ' VAL . 95.6 mt-10 -72.89 -35.57 67.15 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 119.714 -0.794 . . . . 0.0 111.671 -178.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 77.2 mt -123.68 53.78 1.34 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.823 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -55.17 -32.39 62.11 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.603 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.57 -67.46 1.52 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.496 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -58.26 -43.39 87.86 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.675 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.3 OUTLIER -90.48 -3.79 57.4 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.543 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 53.9 p30 -20.99 77.19 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.818 0.818 . . . . 0.0 112.598 -177.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.675 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -63.86 -24.63 67.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.281 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.57 -34.81 65.1 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.403 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.517 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 72.1 mmtt -58.96 -37.67 77.3 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.517 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.2 m-20 -142.33 89.08 2.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.206 -1.361 . . . . 0.0 110.522 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.44 -39.24 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.992 0.425 . . . . 0.0 110.532 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.646 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.3 p30 -61.66 -29.61 70.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.624 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.646 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -58.14 -30.42 66.33 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.5 t -57.06 -45.63 84.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 119.549 -0.86 . . . . 0.0 109.6 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -63.31 -39.35 94.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.38 0.609 . . . . 0.0 110.261 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -60.24 -41.95 94.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.545 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 m -76.43 -37.21 30.33 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.661 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.484 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.0 OUTLIER -62.65 -34.97 78.15 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.556 178.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' B' ' 58' ' ' MET . 81.3 tttt -58.27 -40.95 83.21 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.274 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.03 -37.15 86.67 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.443 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.517 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 81.9 mt -66.4 -36.14 82.09 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.519 0.676 . . . . 0.0 110.5 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -88.93 36.22 0.81 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.722 -1.126 . . . . 0.0 113.352 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.38 -30.52 12.48 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 176.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.553 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 13.9 m120 -52.29 -30.84 30.0 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.154 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.21 4.45 56.42 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 108.569 -1.812 . . . . 0.0 108.569 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' B' ' 66' ' ' ASP . 50.8 p30 -83.59 171.89 12.87 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-O 121.74 0.781 . . . . 0.0 109.592 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -99.71 -7.45 53.41 Favored Glycine 0 C--N 1.299 -1.483 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.164 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.422 ' OE2' ' CG ' ' B' ' 27' ' ' LYS . 77.4 tt0 -116.21 150.71 37.06 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.799 0.333 . . . . 0.0 110.354 -178.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.531 ' O ' ' O ' ' B' ' 28' ' ' LEU . 58.9 t -106.68 133.25 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.593 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 87.2 m-20 -85.39 145.77 27.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.382 178.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' B' ' 75' ' ' VAL . 70.8 t80 -55.2 -39.18 69.32 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.387 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -55.46 -41.0 72.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 119.679 -0.808 . . . . 0.0 108.995 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.553 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 97.5 mt-10 -68.01 -38.73 82.94 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.068 178.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.86 -44.21 96.73 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' B' ' 71' ' ' PHE . 34.4 m -68.2 -36.15 74.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.73 -46.17 95.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 119.279 -0.968 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 28.6 tp -68.57 -41.46 79.69 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 p -59.08 -33.67 51.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.458 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.429 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -58.82 -37.6 76.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.652 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.35 -42.7 74.91 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.376 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.401 HD11 ' N ' ' B' ' 81' ' ' LEU . 7.0 mp -65.4 -38.22 89.31 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.1 t -57.95 -40.72 81.23 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.53 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.34 -42.21 92.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.045 0.45 . . . . 0.0 110.008 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.6 76.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.014 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 71.4 m -57.14 -37.01 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -56.94 -38.61 73.15 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.645 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -53.82 -40.12 66.11 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.534 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -63.23 -37.86 88.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.046 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -59.22 -45.6 90.68 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.738 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -58.48 -34.67 71.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.459 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.29 -32.89 72.74 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -55.59 -34.53 64.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.549 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.986 -1.006 . . . . 0.0 110.638 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.517 ' HG ' ' CD ' ' B' ' 40' ' ' GLU . 54.4 p -69.62 161.89 28.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.733 0.301 . . . . 0.0 110.542 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -62.13 -34.48 76.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.746 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.463 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 34.9 tp -57.69 -41.05 80.84 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.282 -177.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.78 -41.02 94.73 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.41 -0.916 . . . . 0.0 108.969 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -65.61 -37.88 87.88 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.029 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.04 -46.52 87.14 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.294 -178.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.7 mtm -59.37 -41.21 88.77 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 118.798 -1.161 . . . . 0.0 109.557 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 97.8 mt-10 -67.4 -38.34 84.51 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.358 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.2 m -63.49 -45.49 90.48 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 120.161 -0.615 . . . . 0.0 111.411 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.41 ' O ' ' CD2' ' A' ' 15' ' ' PHE . 84.7 mt -62.47 -49.08 76.81 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.827 -0.749 . . . . 0.0 111.377 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.7 mt -62.16 -43.16 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.718 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 89.7 m-20 -61.19 -39.5 90.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.014 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.8 t -67.72 -49.44 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.774 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CD2' ' O ' ' A' ' 11' ' ' LEU . 65.7 m-85 -66.56 -44.54 82.01 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.756 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.85 -40.35 95.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.075 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.53 -52.61 62.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.014 -177.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -66.18 -40.69 90.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.936 0.398 . . . . 0.0 111.688 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.5 t -58.13 -37.73 75.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.17 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.6 -32.04 72.54 Favored Glycine 0 CA--C 1.522 0.509 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.522 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -57.31 -38.22 73.67 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.938 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.511 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -136.41 145.73 45.61 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.202 0.525 . . . . 0.0 111.98 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.58 -145.51 45.07 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 115.462 -0.79 . . . . 0.0 113.043 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -83.08 133.39 35.07 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 114.52 -0.84 . . . . 0.0 111.059 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.13 -40.01 73.12 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.746 0.784 . . . . 0.0 110.517 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.51 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 62.2 m-85 -71.84 -22.49 61.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.252 -1.34 . . . . 0.0 113.897 -177.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -112.62 142.56 45.07 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.3 mt -102.89 135.75 43.99 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.07 -1.423 . . . . 0.0 107.755 174.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.8 t -100.54 159.86 14.82 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.487 ' CE ' ' OD1' ' A' ' 55' ' ' ASP . 63.7 tttm -50.11 -40.02 44.59 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 118.726 -1.19 . . . . 0.0 109.094 -177.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -62.03 -50.31 72.55 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.046 -0.662 . . . . 0.0 112.089 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.511 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.6 mt-10 -63.53 -40.74 97.82 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.684 -175.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.7 -40.41 96.72 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.596 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.596 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -60.28 -45.32 93.75 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.192 177.785 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' ' CG2' ' A' ' 39' ' ' THR . 78.1 mm-40 -68.31 -38.62 81.77 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 119.59 -0.844 . . . . 0.0 112.134 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.28 -51.47 67.57 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 119.666 -0.814 . . . . 0.0 111.803 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' SER . 61.2 mt -70.44 -43.15 70.49 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 119.293 -0.963 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.596 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.8 tt0 -57.82 -41.24 81.8 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.99 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 13.5 t -81.9 -32.6 30.88 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 119.192 -1.003 . . . . 0.0 111.792 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.509 ' CD ' ' HG ' ' B' ' 2' ' ' SER . 96.3 mt-10 -109.89 -45.03 3.69 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 117.852 2.538 . . . . 0.0 117.852 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.402 HD22 ' O ' ' A' ' 40' ' ' GLU . 52.5 mt -131.9 0.66 3.9 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -178.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.661 ' O ' ' N ' ' A' ' 46' ' ' ASP . 22.8 t -53.51 -43.1 68.03 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 117.425 -1.71 . . . . 0.0 110.742 -174.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.55 -37.97 68.62 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 119.126 -1.512 . . . . 0.0 110.579 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -56.37 -39.6 73.2 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.8 mt -91.74 -72.72 0.57 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.479 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.698 ' O ' ' N ' ' A' ' 48' ' ' GLN . 84.6 m-20 -109.37 -112.6 0.31 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 31.15 -59.63 0.0 OUTLIER 'General case' 0 C--N 1.354 0.764 0 C-N-CA 126.141 1.777 . . . . 0.0 113.944 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.698 ' N ' ' O ' ' A' ' 46' ' ' ASP . 94.8 mt-30 -57.02 -36.1 70.05 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.332 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -90.25 -76.91 0.42 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.096 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -98.85 122.24 41.84 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.264 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.01 -38.63 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.68 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 48.9 p30 -87.03 11.03 14.67 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -177.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.59 -27.83 65.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.4 t -56.17 -45.51 80.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.787 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.487 ' OD1' ' CE ' ' A' ' 30' ' ' LYS . 87.2 m-20 -63.37 -40.72 98.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.357 0.599 . . . . 0.0 110.493 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -60.98 -41.78 97.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.858 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.8 m -75.98 -38.71 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 C-N-CA 119.315 -0.954 . . . . 0.0 111.928 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.538 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 ppp? -63.07 -36.86 84.98 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.567 -0.853 . . . . 0.0 110.271 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 58' ' ' MET . 71.6 tttt -58.58 -40.97 84.65 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.508 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -65.04 -38.01 89.46 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.863 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.502 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 72.8 mt -66.99 -37.48 84.29 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.144 0.497 . . . . 0.0 110.495 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.85 32.94 1.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.026 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.65 -34.19 57.77 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.444 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.529 HD22 ' CG ' ' A' ' 66' ' ' ASP . 36.7 p-10 -58.71 -28.5 65.87 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.8 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.72 7.0 63.37 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.177 178.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.674 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.2 p30 -60.87 -35.15 75.85 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.734 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.674 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 93.23 -9.23 75.01 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -114.55 144.2 43.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.38 126.66 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.968 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -92.46 132.8 36.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.933 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.504 ' CE2' ' CG2' ' A' ' 75' ' ' VAL . 86.1 t80 -50.38 -38.43 42.5 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.731 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.69 -40.5 88.08 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.561 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.502 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 99.7 mt-10 -67.29 -39.7 86.03 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.352 0.596 . . . . 0.0 110.287 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -63.94 -43.01 97.12 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.583 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.504 ' CG2' ' CE2' ' A' ' 71' ' ' PHE . 70.9 t -60.3 -42.34 90.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.031 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.0 -43.51 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.344 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.34 -39.76 95.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.278 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.35 -38.75 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.301 -0.559 . . . . 0.0 111.805 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.62 85.4 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.53 -45.94 60.95 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.068 -0.653 . . . . 0.0 112.225 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -67.32 -37.57 83.55 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -178.749 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.558 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.4 t -56.47 -41.47 76.63 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.97 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.81 -41.21 89.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.06 -31.23 72.34 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.412 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -54.82 -35.7 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.06 -179.633 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.585 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 18.7 t-20 -56.28 -36.93 69.17 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.235 0.54 . . . . 0.0 110.293 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -53.16 -36.44 60.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -59.33 -43.3 92.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -59.01 -44.7 91.73 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.702 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.585 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 86.5 m95 -58.35 -34.68 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.584 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -61.49 -32.34 72.36 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.827 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -55.13 -34.44 63.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.768 0.318 . . . . 0.0 110.581 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.552 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.509 ' HG ' ' CD ' ' A' ' 40' ' ' GLU . 54.5 p -69.63 161.88 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.467 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -62.26 -34.29 76.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.756 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.469 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 35.1 tp -57.92 -40.88 81.47 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.217 -177.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -60.94 -40.81 94.69 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.033 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.6 m -65.57 -38.1 88.56 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.959 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.94 -46.58 87.08 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.281 -178.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.7 mtm -59.33 -41.24 88.65 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 118.764 -1.175 . . . . 0.0 109.555 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 97.8 mt-10 -67.43 -38.33 84.39 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.331 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 42.6 m -63.47 -45.49 90.54 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.173 -0.611 . . . . 0.0 111.402 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.411 ' O ' ' CD2' ' B' ' 15' ' ' PHE . 84.7 mt -62.43 -49.11 76.75 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 119.918 -0.713 . . . . 0.0 111.379 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.7 mt -62.25 -43.04 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.736 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 89.5 m-20 -61.26 -39.52 90.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.018 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.73 -49.42 69.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.776 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.411 ' CD2' ' O ' ' B' ' 11' ' ' LEU . 65.7 m-85 -66.48 -44.69 81.97 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.779 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.68 -40.43 94.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.101 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.66 -52.56 62.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.915 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -66.13 -40.72 90.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.932 0.396 . . . . 0.0 111.707 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 12.4 t -58.19 -37.66 75.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.166 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.67 -32.05 72.89 Favored Glycine 0 CA--C 1.521 0.454 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.483 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -57.31 -38.22 73.68 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.866 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.511 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -136.41 145.81 45.72 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.297 0.57 . . . . 0.0 111.989 179.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.48 -145.55 44.8 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-N 115.495 -0.775 . . . . 0.0 113.057 177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -83.02 133.41 35.09 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 114.604 -0.798 . . . . 0.0 111.062 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.18 -39.95 73.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.76 0.79 . . . . 0.0 110.545 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.504 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 63.1 m-85 -71.84 -22.59 61.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.214 -1.357 . . . . 0.0 113.86 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -112.67 142.62 45.06 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.9 mt -102.95 135.7 44.14 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.002 -1.453 . . . . 0.0 107.739 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 45.9 t -100.52 159.86 14.82 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.488 ' CE ' ' OD1' ' B' ' 55' ' ' ASP . 63.7 tttm -50.09 -40.04 44.42 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 118.764 -1.174 . . . . 0.0 109.113 -177.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -62.0 -50.32 72.51 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.969 -0.693 . . . . 0.0 112.105 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.511 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.7 mt-10 -63.5 -40.77 97.95 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.652 -175.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.67 -40.44 96.82 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.636 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.593 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.3 OUTLIER -60.28 -45.31 93.79 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.245 177.77 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.404 ' O ' ' CG2' ' B' ' 39' ' ' THR . 78.3 mm-40 -68.24 -38.58 81.96 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 119.643 -0.823 . . . . 0.0 112.159 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.32 -51.65 66.83 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.763 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' B' ' 42' ' ' SER . 61.2 mt -70.24 -43.18 71.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 119.307 -0.957 . . . . 0.0 111.137 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.593 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.8 tt0 -57.8 -41.21 81.69 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.983 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 35' ' ' GLU . 13.5 t -82.03 -32.51 30.44 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.782 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.517 ' CD ' ' HG ' ' A' ' 2' ' ' SER . 96.3 mt-10 -109.92 -45.06 3.69 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 -177.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 52.2 mt -131.88 0.66 3.9 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.661 ' O ' ' N ' ' B' ' 46' ' ' ASP . 22.8 t -53.48 -43.17 67.99 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 117.405 -1.718 . . . . 0.0 110.749 -174.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.48 -37.99 69.28 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 119.125 -1.512 . . . . 0.0 110.664 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -56.29 -39.62 72.99 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 35.8 mt -91.74 -72.7 0.57 Allowed 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.494 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.71 ' O ' ' N ' ' B' ' 48' ' ' GLN . 84.5 m-20 -109.39 -112.55 0.31 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . 31.08 -59.6 0.0 OUTLIER 'General case' 0 C--N 1.354 0.783 0 CA-C-N 113.281 -1.781 . . . . 0.0 114.015 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.71 ' N ' ' O ' ' B' ' 46' ' ' ASP . 94.8 mt-30 -57.03 -35.96 69.91 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.62 -0.832 . . . . 0.0 110.395 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -90.36 -76.96 0.42 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.021 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -98.8 122.23 41.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.283 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.81 -38.89 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.725 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' B' ' 52' ' ' ASP . 49.1 p30 -86.99 11.2 14.17 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -177.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.76 -27.71 65.23 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.8 t -56.32 -45.34 81.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.739 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.488 ' OD1' ' CE ' ' B' ' 30' ' ' LYS . 87.2 m-20 -63.4 -40.77 98.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.392 0.615 . . . . 0.0 110.471 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -60.99 -41.78 97.12 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.865 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 23.0 m -76.03 -38.64 35.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 C-N-CA 119.291 -0.963 . . . . 0.0 111.863 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.533 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -63.03 -36.94 85.23 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.241 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' B' ' 58' ' ' MET . 71.5 tttt -58.56 -40.93 84.46 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.522 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.19 -37.88 88.72 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.871 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.51 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 73.4 mt -67.0 -37.51 84.32 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.205 0.526 . . . . 0.0 110.492 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.88 32.89 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.052 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.54 -34.27 57.62 Favored 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.46 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.521 HD22 ' CG ' ' B' ' 66' ' ' ASP . 36.6 p-10 -58.71 -28.5 65.88 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.783 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.69 7.0 63.43 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.172 178.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.673 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.2 p30 -60.94 -35.03 75.67 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.709 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.673 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 93.25 -9.24 74.94 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -114.53 144.03 44.02 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.2 t -102.22 126.51 56.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.023 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -92.36 132.87 36.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.967 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.505 ' CE2' ' CG2' ' B' ' 75' ' ' VAL . 86.3 t80 -50.37 -38.47 42.59 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.735 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.66 -40.43 87.7 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.582 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.51 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 99.7 mt-10 -67.35 -39.71 85.77 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.385 0.612 . . . . 0.0 110.252 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -63.97 -42.98 97.1 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.609 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.505 ' CG2' ' CE2' ' B' ' 71' ' ' PHE . 71.2 t -60.32 -42.35 90.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.059 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 78.8 t -61.95 -43.54 97.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 119.874 -0.731 . . . . 0.0 110.286 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 tp -63.31 -39.77 95.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.259 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.39 -38.72 78.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.894 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.7 -39.68 85.42 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.48 -46.0 61.02 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.201 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.563 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 0.7 OUTLIER -67.26 -37.55 83.67 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.558 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.4 t -56.46 -41.55 76.71 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.95 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.79 -41.26 89.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.96 -31.3 72.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.454 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -54.83 -35.64 64.16 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.051 -179.592 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.584 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 18.8 t-20 -56.4 -36.86 69.38 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.17 0.51 . . . . 0.0 110.228 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -53.17 -36.44 60.9 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -59.35 -43.28 92.8 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.08 -44.76 91.93 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.609 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.584 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 86.6 m95 -58.18 -34.78 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.609 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.44 -32.36 72.33 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.821 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -55.09 -34.49 63.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.777 0.322 . . . . 0.0 110.616 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.539 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.558 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 29.9 t -118.23 136.66 53.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.616 0.246 . . . . 0.0 111.271 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.3 -36.39 83.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.79 -40.19 87.48 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.847 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.4 -40.43 94.34 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' A' ' 10' ' ' THR . 47.9 m -64.73 -39.32 93.44 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.386 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.46 -48.52 72.39 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.0 mtm -58.19 -40.51 81.71 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 118.697 -1.201 . . . . 0.0 109.146 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.588 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.9 mt-10 -66.77 -36.66 82.94 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.428 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 6' ' ' THR . 48.0 m -61.82 -42.88 99.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.211 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.61 -44.57 96.15 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.627 0.727 . . . . 0.0 110.558 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.92 -42.46 88.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.876 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.588 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 85.8 m-20 -60.84 -40.5 93.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.244 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.1 m -75.57 -37.16 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.878 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.608 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 2.4 t80 -63.13 -50.1 71.77 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.515 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.85 -42.24 98.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.28 -41.6 99.0 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -177.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -93.54 -28.69 15.92 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.4 p -61.95 -29.6 70.34 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.392 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.05 -27.62 62.67 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-N 115.3 -0.864 . . . . 0.0 114.227 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -57.75 -44.09 85.87 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -175.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.569 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 96.4 mt-10 -147.42 160.96 41.97 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 40.44 112.22 0.0 OUTLIER Glycine 0 CA--C 1.523 0.569 0 CA-C-N 114.758 -1.11 . . . . 0.0 113.36 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 33.13 112.24 0.0 OUTLIER 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.661 0.743 . . . . 0.0 112.511 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.62 -39.0 75.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.847 0.832 . . . . 0.0 109.791 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.59 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.1 m-30 -72.39 -24.1 61.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.067 -1.424 . . . . 0.0 112.758 -176.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -121.85 151.3 40.79 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.832 0.348 . . . . 0.0 111.565 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -90.48 140.03 30.12 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.384 0.611 . . . . 0.0 111.237 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 t -93.95 154.55 17.62 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 177.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -54.23 -39.07 66.42 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 118.764 -1.175 . . . . 0.0 109.451 -177.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -60.45 -49.48 77.39 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.406 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.569 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.0 mt-10 -63.0 -39.09 93.7 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.856 -0.738 . . . . 0.0 110.425 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.46 -41.83 99.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 114.735 -1.121 . . . . 0.0 109.408 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.605 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -61.16 -46.31 91.03 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.516 177.487 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.78 -37.25 81.8 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.903 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.72 -46.53 78.6 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.941 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.8 mt -71.28 -46.24 61.31 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.411 -0.916 . . . . 0.0 111.368 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.605 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 64.4 tt0 -63.34 -42.71 98.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.748 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.449 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -81.67 -45.32 15.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.505 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.565 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 73.6 mm-40 -71.9 -35.92 69.85 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.928 -178.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.2 mt -124.66 65.94 1.09 Allowed 'General case' 0 C--O 1.24 0.576 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.309 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.1 p -58.82 -25.46 63.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.847 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.1 -70.05 1.33 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.809 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -58.83 -41.94 88.08 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -90.53 -4.13 57.13 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.862 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.52 ' C ' ' O ' ' A' ' 45' ' ' LEU . 21.6 t70 -26.68 87.54 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.422 0.63 . . . . 0.0 111.058 -178.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.588 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -66.05 -17.21 64.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.85 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -54.63 -36.06 64.12 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.526 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 88.3 mttt -59.66 -39.28 83.88 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.108 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.526 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.1 m-20 -142.83 87.84 2.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.071 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.47 -44.76 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.268 0.556 . . . . 0.0 111.331 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -60.02 -33.08 71.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.929 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.16 -27.68 62.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.044 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.29 -45.61 77.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 119.586 -0.845 . . . . 0.0 109.659 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.47 -39.05 93.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.541 0.686 . . . . 0.0 110.27 177.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.77 -41.56 91.34 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.302 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.5 m -76.35 -37.58 31.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 C-N-CA 119.381 -0.928 . . . . 0.0 111.746 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.563 ' C ' ' SD ' ' A' ' 58' ' ' MET . 0.6 OUTLIER -61.03 -37.02 81.09 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.484 -0.887 . . . . 0.0 109.706 179.061 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -57.83 -40.55 80.31 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.0 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.35 -36.2 83.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.39 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.46 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 86.5 mt -65.99 -37.41 85.87 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.589 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 53.4 t0 -77.62 90.13 3.94 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.419 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.75 -38.67 89.75 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.318 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -90.97 0.11 57.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.54 30.72 73.13 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.481 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.589 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 51.6 p30 -87.45 6.61 33.14 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.438 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 65.4 -7.96 0.82 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.588 ' H ' ' C ' ' A' ' 66' ' ' ASP . 84.5 tt0 -109.96 143.59 39.69 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.2 t -105.79 131.66 54.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.308 0.575 . . . . 0.0 109.893 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 54.8 t0 -98.23 147.46 24.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.516 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.608 ' CE1' ' CD2' ' A' ' 15' ' ' PHE . 81.2 t80 -51.31 -38.2 51.68 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -58.7 -39.67 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.11 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.46 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -67.52 -41.48 84.34 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.336 0.589 . . . . 0.0 110.639 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -64.99 -43.96 90.89 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -179.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.506 ' CG2' ' CE2' ' A' ' 71' ' ' PHE . 77.7 t -62.03 -40.98 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.878 -178.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.64 -45.14 99.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.998 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.7 tp -67.15 -40.91 86.76 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 79' ' ' ALA . 3.1 p -57.8 -33.59 45.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 119.164 -1.015 . . . . 0.0 110.318 -178.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' N ' HG13 ' A' ' 78' ' ' VAL . . . -60.2 -40.95 91.87 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.097 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.76 -40.36 76.14 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.283 -0.567 . . . . 0.0 111.085 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.41 -39.45 94.54 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.4 t -59.97 -40.84 90.49 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.225 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.9 -41.06 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.599 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.85 76.25 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.241 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -55.7 -37.68 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.566 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.586 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 18.7 t-20 -57.26 -39.4 75.53 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.172 0.51 . . . . 0.0 110.593 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -55.64 -36.8 67.41 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.594 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -60.83 -42.41 97.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.173 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -63.2 -44.25 95.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.666 178.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.586 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 84.7 m95 -59.74 -34.47 72.99 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.934 178.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.63 -33.8 68.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.884 0.374 . . . . 0.0 110.475 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -105.35 137.01 43.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.473 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.516 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.565 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 29.9 t -118.17 136.67 53.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.585 0.231 . . . . 0.0 111.27 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.2 -36.54 84.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 34.7 tp -59.64 -40.31 87.24 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.908 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.31 -40.48 94.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' B' ' 10' ' ' THR . 46.9 m -64.62 -39.41 93.65 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.422 178.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.41 -48.47 72.7 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.1 mtm -58.24 -40.45 81.77 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 118.626 -1.23 . . . . 0.0 109.229 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.596 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.9 mt-10 -66.76 -36.74 83.13 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.425 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 6' ' ' THR . 46.6 m -61.65 -42.99 99.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.248 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.56 -44.57 96.01 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.588 0.709 . . . . 0.0 110.656 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.86 -42.45 89.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.957 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.596 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 85.9 m-20 -60.91 -40.41 93.03 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.268 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 m -75.6 -37.17 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.907 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.603 ' CD2' ' CE1' ' B' ' 71' ' ' PHE . 2.4 t80 -63.05 -50.11 71.9 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.478 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.93 -42.2 98.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.62 98.98 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -177.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -93.51 -28.68 15.93 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.8 p -61.92 -29.58 70.31 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.382 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.16 -27.48 62.74 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 115.295 -0.866 . . . . 0.0 114.245 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -57.89 -44.04 86.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -175.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.56 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 96.4 mt-10 -147.38 160.9 42.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -179.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 40.53 112.19 0.0 OUTLIER Glycine 0 CA--C 1.523 0.538 0 CA-C-N 114.775 -1.102 . . . . 0.0 113.283 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 33.15 112.15 0.0 OUTLIER 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.673 0.749 . . . . 0.0 112.567 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -57.49 -39.1 75.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.796 0.808 . . . . 0.0 109.81 179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.596 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.1 m-30 -72.37 -24.1 61.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.019 -1.446 . . . . 0.0 112.774 -176.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -121.88 151.36 40.77 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.816 0.341 . . . . 0.0 111.574 -178.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -90.49 140.09 30.06 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.448 0.642 . . . . 0.0 111.237 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.5 t -93.99 154.58 17.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -54.29 -38.96 66.5 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.476 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -60.33 -49.64 76.78 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.404 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.56 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.1 mt-10 -63.0 -39.08 93.68 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.669 0.747 . . . . 0.0 110.506 -176.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.39 -41.92 99.02 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.431 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.599 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.9 OUTLIER -61.12 -46.32 91.05 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.512 177.485 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.9 -37.16 81.39 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.771 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.7 mt -65.77 -46.45 78.71 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.995 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 67.9 mt -71.29 -46.2 61.35 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.474 -0.89 . . . . 0.0 111.402 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.599 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.3 tt0 -63.31 -42.76 99.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.761 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.0 OUTLIER -81.71 -45.25 15.95 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.422 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.558 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 73.6 mm-40 -71.98 -35.88 69.65 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 118.956 -1.098 . . . . 0.0 110.861 -178.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 74.3 mt -124.7 65.99 1.1 Allowed 'General case' 0 C--O 1.239 0.534 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.324 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -58.83 -25.4 63.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.921 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.11 -69.97 1.33 Allowed Glycine 0 CA--C 1.53 1.0 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.866 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -58.97 -41.79 88.4 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.6 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.7 OUTLIER -90.66 -4.1 57.03 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' B' ' 45' ' ' LEU . 21.8 t70 -26.76 87.68 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.506 0.67 . . . . 0.0 110.975 -178.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -66.08 -17.28 64.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.8 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -54.56 -36.16 64.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.521 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 88.3 mttt -59.64 -39.24 83.71 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.136 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.521 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.0 m-20 -142.82 87.87 2.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.155 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.6 -44.66 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.3 0.572 . . . . 0.0 111.317 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.02 -33.15 71.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.931 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.19 -27.59 62.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.404 . . . . 0.0 112.04 -178.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.28 -45.62 77.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.652 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.5 -39.03 93.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.529 0.681 . . . . 0.0 110.217 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.92 -41.41 91.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.318 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 24.8 m -76.47 -37.39 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.71 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.564 ' C ' ' SD ' ' B' ' 58' ' ' MET . 0.6 OUTLIER -61.16 -36.97 81.22 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.421 -0.912 . . . . 0.0 109.719 179.048 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -57.79 -40.63 80.32 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 119.82 -0.752 . . . . 0.0 108.999 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.34 -36.17 83.21 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.468 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.457 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 86.5 mt -65.97 -37.36 85.78 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.59 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 53.4 t0 -77.72 90.31 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.326 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.94 -38.67 89.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.212 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 43.4 p-10 -90.94 0.23 57.57 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.47 30.68 73.26 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.464 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.59 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 51.5 p30 -87.38 6.69 32.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.486 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 65.38 -7.98 0.8 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.579 ' H ' ' C ' ' B' ' 66' ' ' ASP . 84.4 tt0 -109.94 143.68 39.55 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -105.83 131.62 54.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.294 0.569 . . . . 0.0 109.843 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 54.7 t0 -98.17 147.5 24.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.492 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.603 ' CE1' ' CD2' ' B' ' 15' ' ' PHE . 81.1 t80 -51.42 -38.12 51.98 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -58.73 -39.63 81.42 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.151 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.457 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 98.8 mt-10 -67.61 -41.46 83.97 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.326 0.584 . . . . 0.0 110.582 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -64.92 -44.1 90.61 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.492 ' CG2' ' CE2' ' B' ' 71' ' ' PHE . 77.8 t -61.97 -40.92 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.869 -178.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.75 -45.16 99.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.9 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.6 tp -67.07 -40.98 87.14 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.418 HG13 ' N ' ' B' ' 79' ' ' ALA . 3.1 p -57.74 -33.76 46.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 C-N-CA 119.222 -0.991 . . . . 0.0 110.264 -178.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.423 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.01 -41.06 91.31 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.139 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.85 -40.26 75.89 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.014 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.9 mt -63.51 -39.35 94.2 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.56 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.4 t -60.03 -40.85 90.74 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 118.956 -1.098 . . . . 0.0 109.127 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.2 t -62.01 -40.94 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.86 76.32 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.264 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.56 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -55.67 -37.66 68.57 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.615 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.595 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 18.7 t-20 -57.35 -39.31 75.65 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.649 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -55.65 -36.82 67.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.592 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -60.84 -42.41 97.71 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.154 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -63.12 -44.34 95.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.661 178.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.595 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 84.8 m95 -59.72 -34.55 73.06 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.971 178.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.55 -33.86 68.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -105.26 137.01 43.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.51 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.498 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -125.35 156.62 38.43 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.968 0.413 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.88 -35.91 79.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.62 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.452 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 37.1 tp -58.79 -40.29 83.58 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.685 -178.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.19 -40.34 89.71 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.04 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -64.96 -39.17 93.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.234 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.62 87.66 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mtm -57.85 -40.86 81.13 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 118.378 -1.329 . . . . 0.0 108.746 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.606 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 98.5 mt-10 -67.57 -35.72 79.56 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.924 178.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.5 m -62.27 -44.24 96.99 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.789 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.6 mt -59.76 -45.21 92.94 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.919 0.866 . . . . 0.0 110.301 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.68 -38.68 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.497 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.606 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 2.4 m120 -60.8 -40.88 94.34 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.3 m -74.95 -39.88 45.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 119.519 -0.872 . . . . 0.0 111.073 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.522 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -63.43 -53.46 51.87 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.461 0.648 . . . . 0.0 111.029 178.478 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -61.78 -44.48 96.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.977 -1.01 . . . . 0.0 113.401 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.31 -52.97 41.9 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 119.846 -0.741 . . . . 0.0 112.753 -177.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -69.57 -47.06 64.87 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.5 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 78.8 p -63.58 -28.52 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.426 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.79 -34.45 82.53 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.802 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.78 -41.39 86.57 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.176 -0.609 . . . . 0.0 110.975 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -153.09 160.38 42.91 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.509 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.01 34.44 52.54 Favored Glycine 0 CA--C 1.525 0.657 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.154 177.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 61.14 137.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.35 0.595 . . . . 0.0 111.219 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -58.82 -34.71 71.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.706 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 74.5 m-85 -100.85 9.61 42.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -176.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.593 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 41.8 tptt -124.62 137.55 54.37 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.589 ' O ' ' O ' ' A' ' 69' ' ' VAL . 8.0 tp -105.96 126.61 52.39 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.6 t -103.15 155.17 18.6 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.892 -0.505 . . . . 0.0 112.129 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -54.01 -40.43 67.0 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.128 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -58.91 -47.98 83.07 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.379 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 98.9 mt-10 -62.84 -41.57 99.39 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.578 -177.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.51 -40.9 98.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.068 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HZ3' ' CD ' ' A' ' 38' ' ' GLN . 9.0 tptp -61.48 -48.6 80.35 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.793 177.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -69.11 -38.98 79.2 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.518 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 89.5 mt -66.07 -47.12 75.31 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 119.701 -0.8 . . . . 0.0 112.19 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.5 mt -71.21 -44.56 65.16 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.385 -0.926 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.406 ' CD ' ' HZ3' ' A' ' 34' ' ' LYS . 51.7 tt0 -62.95 -42.0 99.68 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.487 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.457 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.2 t -83.06 -45.24 14.26 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.0 -0.68 . . . . 0.0 112.712 -178.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 39' ' ' THR . 95.4 mt-10 -71.68 -35.91 70.45 Favored 'General case' 0 CA--C 1.523 -0.067 0 C-N-CA 119.644 -0.822 . . . . 0.0 111.854 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.5 mt -123.07 51.38 1.45 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.664 0.269 . . . . 0.0 110.49 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.9 p -57.9 -25.23 60.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.193 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.52 -69.64 1.35 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 121.101 -0.571 . . . . 0.0 111.742 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -58.51 -43.74 89.24 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.612 ' O ' ' N ' ' A' ' 47' ' ' ALA . 40.4 mt -93.09 -0.54 57.03 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.552 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 53.4 p30 -19.8 81.21 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 122.127 0.965 . . . . 0.0 112.183 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.612 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -64.07 -18.02 63.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.26 -1.336 . . . . 0.0 111.491 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -54.41 -34.54 61.54 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.44 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -58.89 -36.88 75.4 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.54 ' CG ' ' H ' ' A' ' 53' ' ' ALA . 63.8 t0 -142.57 96.71 2.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.048 -1.433 . . . . 0.0 111.168 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.16 -40.53 86.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -60.7 -29.66 69.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.159 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.54 ' H ' ' CG ' ' A' ' 50' ' ' ASP . . . -52.77 -34.17 51.89 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.35 -0.54 . . . . 0.0 111.55 -176.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.485 ' CG2' ' N ' ' A' ' 55' ' ' ASP . 4.2 m -60.0 -42.69 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 119.65 -0.82 . . . . 0.0 108.878 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.485 ' N ' ' CG2' ' A' ' 54' ' ' VAL . 56.0 t0 -64.38 -39.51 94.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.39 0.614 . . . . 0.0 110.281 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -60.18 -42.69 95.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.204 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.6 m -76.5 -36.27 28.03 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 C-N-CA 119.307 -0.957 . . . . 0.0 111.677 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.531 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.1 ppp? -62.39 -35.22 78.5 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.44 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 58' ' ' MET . 19.5 ttpp -57.62 -40.84 80.09 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.948 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.9 -36.96 86.04 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.163 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.49 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 81.7 mt -66.5 -36.95 84.0 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.299 0.571 . . . . 0.0 110.375 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -99.21 34.91 2.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.918 -178.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -51.17 -30.3 16.38 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 121.425 0.631 . . . . 0.0 109.524 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.496 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 14.6 m120 -52.67 -34.25 51.0 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.598 -178.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.73 2.47 63.02 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 -178.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.694 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.9 p30 -61.83 -35.68 78.97 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 114.968 -0.616 . . . . 0.0 111.963 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.694 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 92.81 -6.97 77.15 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -119.3 148.49 43.11 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.589 ' O ' ' O ' ' A' ' 28' ' ' LEU . 43.6 t -110.32 133.99 53.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 CA-C-O 121.276 0.56 . . . . 0.0 111.653 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.593 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 87.4 m-20 -95.78 147.52 23.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.844 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.549 ' CZ ' ' CG1' ' A' ' 75' ' ' VAL . 87.5 t80 -53.61 -38.08 63.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.476 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -55.32 -40.65 71.41 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.098 -0.641 . . . . 0.0 109.513 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.496 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 98.9 mt-10 -67.17 -38.52 85.59 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.306 0.574 . . . . 0.0 109.941 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.408 ' CE2' HG21 ' A' ' 78' ' ' VAL . 87.0 t80 -61.49 -43.61 98.55 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.549 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 35.1 m -67.2 -35.62 74.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.41 -46.53 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.237 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 tp -66.2 -38.95 89.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.408 HG21 ' CE2' ' A' ' 74' ' ' TYR . 73.9 t -61.01 -41.11 87.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 C-N-CA 120.676 -0.409 . . . . 0.0 112.074 -178.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.78 97.2 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.922 -178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.96 -42.62 66.36 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.67 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.445 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -65.22 -41.93 93.93 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.868 -177.286 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.559 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.2 t -58.71 -41.11 85.56 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.242 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.29 -41.85 91.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.48 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.27 71.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.547 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.559 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.7 OUTLIER -54.77 -35.83 64.22 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.593 -179.13 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.441 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 86.4 m-20 -56.71 -35.37 68.45 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.016 0.436 . . . . 0.0 110.273 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -53.7 -36.11 61.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.58 -43.22 93.69 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -59.73 -46.34 89.42 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.644 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -59.61 -35.25 73.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.008 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -58.66 -33.5 70.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.581 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -100.5 120.74 40.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.658 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.473 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 98.2 p -125.24 156.6 38.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.884 0.373 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.91 -35.92 79.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.677 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.445 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 37.1 tp -58.69 -40.43 83.6 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.598 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.15 -40.31 89.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.105 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -65.0 -39.14 93.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.249 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.68 87.66 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.5 mtm -57.88 -40.82 81.15 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 118.289 -1.364 . . . . 0.0 108.725 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.599 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 98.5 mt-10 -67.58 -35.79 79.68 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.897 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 55.9 m -62.09 -44.36 96.83 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.769 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.8 -45.14 93.24 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-O 121.858 0.837 . . . . 0.0 110.326 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.4 mt -66.64 -38.7 82.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.436 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.599 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 2.4 m120 -60.9 -40.91 94.88 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.007 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 35.3 m -74.88 -39.87 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 119.612 -0.835 . . . . 0.0 111.133 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.514 ' C ' ' CD1' ' B' ' 15' ' ' PHE . 0.8 OUTLIER -63.54 -53.37 52.9 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.33 0.585 . . . . 0.0 110.996 178.489 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -61.82 -44.47 96.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.977 -1.011 . . . . 0.0 113.4 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.28 -53.03 41.48 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.878 -0.729 . . . . 0.0 112.714 -177.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -69.6 -47.0 65.0 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 78.7 p -63.63 -28.49 69.95 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.411 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.77 -34.49 82.63 Favored Glycine 0 CA--C 1.521 0.445 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.804 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.65 -41.42 86.03 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.029 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -153.15 160.36 42.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.447 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.17 34.3 52.05 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.178 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 61.11 138.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.34 0.591 . . . . 0.0 111.283 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -58.78 -34.77 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.73 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 75.1 m-85 -100.88 9.69 42.01 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.594 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 41.7 tptt -124.66 137.55 54.36 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.593 ' O ' ' O ' ' B' ' 69' ' ' VAL . 8.0 tp -105.99 126.55 52.33 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 30.6 t -103.13 155.15 18.61 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.909 -0.495 . . . . 0.0 112.092 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -54.07 -40.4 67.15 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.063 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -58.94 -47.94 83.28 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.377 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' B' ' 36' ' ' LEU . 98.9 mt-10 -62.85 -41.59 99.41 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.579 -177.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.48 -40.84 97.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.172 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -61.6 -48.54 80.46 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.758 177.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -69.15 -38.97 79.06 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 120.291 -0.564 . . . . 0.0 112.495 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 32' ' ' GLU . 89.8 mt -66.09 -47.1 75.33 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 119.674 -0.811 . . . . 0.0 112.164 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 50.8 mt -71.16 -44.56 65.25 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.326 -0.949 . . . . 0.0 111.158 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -62.84 -42.11 99.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.514 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.2 t -83.0 -45.24 14.31 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.712 -178.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' B' ' 39' ' ' THR . 95.4 mt-10 -71.74 -35.79 70.24 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 119.594 -0.843 . . . . 0.0 111.852 -177.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 61.9 mt -123.15 51.37 1.46 Allowed 'General case' 0 C--O 1.235 0.324 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.436 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -57.83 -25.25 60.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.207 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.59 -69.59 1.35 Allowed Glycine 0 CA--C 1.531 1.065 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.738 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -58.5 -43.67 89.18 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.619 ' O ' ' N ' ' B' ' 47' ' ' ALA . 40.3 mt -93.19 -0.4 56.89 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.561 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 53.8 p30 -19.81 81.19 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 122.095 0.95 . . . . 0.0 112.211 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.619 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -64.13 -18.0 64.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.412 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.29 -34.67 61.42 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.503 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -58.79 -36.97 75.32 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' B' ' 53' ' ' ALA . 63.7 t0 -142.53 96.82 3.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.053 -1.43 . . . . 0.0 111.128 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.27 -40.53 86.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -60.53 -29.83 69.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.579 -1.191 . . . . 0.0 112.265 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.543 ' H ' ' CG ' ' B' ' 50' ' ' ASP . . . -52.67 -34.11 50.34 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.58 -176.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.488 ' CG2' ' N ' ' B' ' 55' ' ' ASP . 4.2 m -59.96 -42.84 90.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.488 ' N ' ' CG2' ' B' ' 54' ' ' VAL . 56.0 t0 -64.24 -39.58 94.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.506 0.67 . . . . 0.0 110.354 177.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -60.13 -42.6 95.16 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.306 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 20.9 m -76.56 -36.36 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 C-N-CA 119.371 -0.931 . . . . 0.0 111.592 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.531 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.1 ppp? -62.2 -35.34 78.56 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.433 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' B' ' 58' ' ' MET . 19.6 ttpp -57.56 -40.91 79.97 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.916 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.89 -36.97 86.06 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.206 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.489 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 81.6 mt -66.4 -36.95 84.14 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.379 0.609 . . . . 0.0 110.49 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -99.26 34.96 2.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.963 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -51.08 -30.32 15.61 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-O 121.422 0.63 . . . . 0.0 109.592 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.5 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 14.8 m120 -52.81 -34.19 52.57 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.559 -178.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.86 2.38 62.82 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 109.117 -1.593 . . . . 0.0 109.117 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.689 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.7 p30 -61.77 -35.73 78.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.04 -0.58 . . . . 0.0 112.011 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.689 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 92.78 -6.94 77.22 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -119.34 148.49 43.13 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.593 ' O ' ' O ' ' B' ' 28' ' ' LEU . 43.4 t -110.32 133.96 54.04 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-O 121.325 0.583 . . . . 0.0 111.638 -178.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.594 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 87.2 m-20 -95.79 147.47 23.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.876 178.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.55 ' CE2' ' CG1' ' B' ' 75' ' ' VAL . 87.6 t80 -53.53 -38.09 63.44 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.515 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -55.37 -40.63 71.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.482 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.5 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.0 mt-10 -67.11 -38.54 85.82 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.325 0.583 . . . . 0.0 109.991 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -61.44 -43.62 98.54 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.55 ' CG1' ' CE2' ' B' ' 71' ' ' PHE . 35.2 m -67.34 -35.53 73.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -178.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.44 -46.56 96.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.275 -0.97 . . . . 0.0 110.248 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.4 tp -66.18 -38.87 89.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.979 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 73.0 t -60.99 -41.21 88.23 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 C-N-CA 120.615 -0.434 . . . . 0.0 112.051 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.73 96.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.997 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.03 -42.5 66.26 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.675 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.452 ' O ' ' CD1' ' B' ' 81' ' ' LEU . 0.1 OUTLIER -65.3 -41.9 93.62 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.843 -177.246 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.566 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.2 t -58.78 -41.1 85.87 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.216 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.23 -41.95 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.505 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.34 71.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.54 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.566 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.7 OUTLIER -54.64 -35.89 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.669 -179.168 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.451 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 86.3 m-20 -56.7 -35.34 68.39 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.997 0.427 . . . . 0.0 110.299 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -53.68 -36.21 61.92 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -59.45 -43.27 93.21 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.66 -46.33 89.35 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.738 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -59.61 -35.17 73.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.018 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -58.65 -33.57 70.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.6 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -100.51 120.84 40.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.632 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 32.4 m . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.502 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 p -69.55 162.12 28.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.689 0.28 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.86 -36.08 80.17 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.999 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.45 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 34.9 tp -59.18 -40.3 85.24 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.827 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.36 -38.62 87.64 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.511 ' O ' ' OG1' ' A' ' 10' ' ' THR . 48.3 m -65.03 -41.03 95.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.574 178.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.03 -50.09 65.41 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 ppp? -57.36 -42.39 81.95 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.179 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -64.81 -37.22 86.87 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.573 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.511 ' OG1' ' O ' ' A' ' 6' ' ' THR . 53.1 m -60.54 -41.68 94.97 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.734 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -57.17 -44.31 83.41 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 122.034 0.921 . . . . 0.0 109.547 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.434 HD13 HD22 ' B' ' 86' ' ' ASN . 76.7 mt -66.44 -39.26 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.529 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -59.73 -40.91 89.63 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.339 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 15' ' ' PHE . 34.9 m -74.42 -36.24 41.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.068 0 C-N-CA 119.944 -0.703 . . . . 0.0 109.783 178.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.694 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 91.4 t80 -58.79 -50.07 75.33 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.28 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.47 -45.29 94.89 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.87 -53.2 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -177.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.72 ' ND1' ' HZ3' ' A' ' 21' ' ' LYS . 98.1 m-70 -68.34 -46.51 69.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.507 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 94.0 p -61.86 -32.03 72.35 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.325 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 19' ' ' SER . . . -61.78 -31.31 77.69 Favored Glycine 0 CA--C 1.522 0.509 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.071 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.72 ' HZ3' ' ND1' ' A' ' 18' ' ' HIS . 63.9 mttp -57.16 -38.54 73.72 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -177.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -135.92 147.95 48.33 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.829 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.33 -137.17 49.79 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.091 -0.958 . . . . 0.0 112.997 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -81.09 132.13 35.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.65 -0.775 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' O ' ' OG ' ' A' ' 19' ' ' SER . 63.8 mttp -56.25 -32.29 64.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.377 -178.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 76.6 m-85 -103.02 11.65 37.02 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -176.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.609 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 6.8 tptt -134.11 137.74 44.77 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.473 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.9 mt -95.36 139.61 31.41 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.43 0.633 . . . . 0.0 110.797 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -103.15 159.35 15.61 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -52.07 -38.86 58.54 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.673 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -61.57 -50.38 72.86 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.119 -0.633 . . . . 0.0 112.022 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.18 -41.11 99.16 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.202 -176.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.16 -41.34 99.24 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.629 -1.169 . . . . 0.0 109.363 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.606 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 2.2 tptp -60.21 -46.08 90.98 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.053 178.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -68.07 -38.51 82.48 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.962 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.51 -47.16 76.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 119.464 -0.894 . . . . 0.0 112.582 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.479 HD11 ' N ' ' A' ' 37' ' ' LEU . 7.9 mp -71.14 -43.84 66.75 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.161 -1.016 . . . . 0.0 111.55 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.606 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.9 tt0 -62.87 -41.66 99.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.6 t -83.45 -45.92 13.08 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.742 -178.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' A' ' 39' ' ' THR . 95.8 mt-10 -72.43 -34.09 67.55 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 119.953 -0.699 . . . . 0.0 111.843 -178.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -118.23 37.25 4.06 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.0 t -53.38 -35.52 60.43 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.34 -178.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.66 -57.31 5.5 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.648 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -64.52 -46.59 82.28 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 46' ' ' ASP . 7.1 mp -91.78 -0.48 57.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' A' ' 45' ' ' LEU . 55.9 t0 -24.21 130.92 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.752 0.787 . . . . 0.0 111.878 -177.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.99 -17.54 64.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.341 -1.299 . . . . 0.0 111.884 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -54.47 -34.3 61.27 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.787 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -120.47 143.26 48.61 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 56.52 50.42 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.35 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.2 t -51.69 -39.59 24.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.633 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -77.25 7.11 5.54 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.473 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.43 -33.66 69.93 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.612 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.6 t -59.98 -46.02 94.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.341 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.54 -43.89 97.68 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.41 0.624 . . . . 0.0 110.597 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -62.78 -40.3 96.88 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.404 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.1 t -66.33 -46.66 86.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.079 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.517 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.6 ppp? -67.67 -36.81 81.39 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.667 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 58' ' ' MET . 40.1 tttp -59.24 -43.15 92.4 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.566 -0.454 . . . . 0.0 112.035 -178.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.65 -38.39 89.21 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.756 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.491 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 96.1 mt -67.6 -35.9 79.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.756 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -95.41 34.74 1.4 Allowed 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -51.05 -30.4 15.51 Favored 'General case' 0 CA--C 1.5 -0.973 0 CA-C-O 121.51 0.671 . . . . 0.0 109.204 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.529 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 12.9 m120 -53.03 -33.73 53.17 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.38 -178.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.97 2.57 60.94 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.699 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.5 p30 -61.62 -35.7 78.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.955 -0.623 . . . . 0.0 111.757 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.699 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.27 -13.25 67.69 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -122.05 151.21 41.1 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.4 t -101.55 132.39 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -177.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.609 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 84.7 m-20 -82.7 144.29 30.33 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.287 177.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.694 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 84.3 t80 -55.35 -41.36 72.42 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.763 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.43 -41.63 85.47 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.555 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.529 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.2 mt-10 -66.42 -39.95 89.24 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.978 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -64.5 -42.12 96.02 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.43 -40.22 83.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.249 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.0 t -64.14 -45.85 95.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.577 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.3 tp -66.86 -41.14 87.8 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -58.79 -33.59 49.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.068 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.0 86.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.03 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.76 77.05 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.792 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.534 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 69.0 mt -63.53 -39.28 94.01 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 112.629 0.604 . . . . 0.0 112.629 -178.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -62.3 -42.62 99.51 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 119.12 -1.032 . . . . 0.0 110.181 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.1 t -63.82 -41.8 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.149 0.499 . . . . 0.0 109.881 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.25 73.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.055 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.534 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 74.4 m -54.75 -39.97 68.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.852 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.429 HD22 HD13 ' B' ' 12' ' ' ILE . 22.8 m120 -59.53 -36.26 75.77 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.729 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -53.36 -40.58 65.04 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.369 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -63.62 -37.6 87.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.867 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.524 ' O ' ' OD1' ' A' ' 92' ' ' ASN . 61.0 t80 -59.04 -45.88 89.63 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.208 0.528 . . . . 0.0 109.827 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -59.18 -31.95 69.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.613 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -55.65 -32.88 63.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.575 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.524 ' OD1' ' O ' ' A' ' 89' ' ' PHE . 27.3 p-10 -84.24 6.3 23.28 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.495 -179.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.484 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.683 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p -69.57 162.09 28.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.731 0.3 . . . . 0.0 110.58 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.99 -36.01 80.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.919 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.455 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 35.1 tp -59.18 -40.28 85.17 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.86 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.35 -38.65 87.71 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.308 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.511 ' O ' ' OG1' ' B' ' 10' ' ' THR . 47.1 m -64.97 -41.01 95.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.592 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.03 -50.11 65.34 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' B' ' 9' ' ' GLU . 1.3 ppp? -57.28 -42.46 81.7 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.221 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.4 ' N ' ' SD ' ' B' ' 8' ' ' MET . 83.9 tt0 -64.86 -37.13 86.58 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.563 178.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.511 ' OG1' ' O ' ' B' ' 6' ' ' THR . 52.8 m -60.62 -41.62 95.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.762 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -57.11 -44.39 83.19 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 122.035 0.922 . . . . 0.0 109.557 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.429 HD13 HD22 ' A' ' 86' ' ' ASN . 76.5 mt -66.42 -39.27 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.483 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -59.8 -40.8 89.58 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.392 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.402 HG22 ' N ' ' B' ' 15' ' ' PHE . 35.0 m -74.49 -36.3 41.26 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.057 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.707 178.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.692 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 91.5 t80 -58.83 -50.0 75.61 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.225 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.54 -45.29 94.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.84 -53.15 23.05 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.72 ' ND1' ' HZ3' ' B' ' 21' ' ' LYS . 98.1 m-70 -68.37 -46.53 69.82 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.522 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 94.5 p -61.89 -31.97 72.31 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.348 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.442 ' N ' ' HG ' ' B' ' 19' ' ' SER . . . -61.86 -31.14 77.27 Favored Glycine 0 CA--C 1.523 0.59 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.075 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.72 ' HZ3' ' ND1' ' B' ' 18' ' ' HIS . 64.0 mttp -57.29 -38.52 74.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -135.91 147.97 48.36 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.835 0.679 . . . . 0.0 112.835 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.28 -137.21 49.69 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 115.033 -0.985 . . . . 0.0 113.008 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -81.11 132.1 35.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 114.604 -0.798 . . . . 0.0 110.84 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.522 ' O ' ' OG ' ' B' ' 19' ' ' SER . 63.8 mttp -56.21 -32.28 64.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.377 -178.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 76.9 m-85 -103.08 11.67 36.89 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -176.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.61 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 6.8 tptt -134.17 137.78 44.69 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.403 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 85.1 mt -95.37 139.57 31.47 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.419 0.628 . . . . 0.0 110.779 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.2 m -103.12 159.3 15.65 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -52.03 -38.78 58.14 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 118.767 -1.173 . . . . 0.0 108.783 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -61.66 -50.27 73.17 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.075 -0.65 . . . . 0.0 112.064 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.13 -41.17 99.26 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.19 -176.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.11 -41.45 99.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.344 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.608 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 2.2 tptp -60.21 -46.06 91.04 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.974 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -68.19 -38.44 81.98 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.898 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.52 -47.18 76.84 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 119.467 -0.893 . . . . 0.0 112.591 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.476 HD11 ' N ' ' B' ' 37' ' ' LEU . 7.9 mp -71.08 -43.9 66.8 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.226 -0.99 . . . . 0.0 111.516 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.608 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.0 tt0 -62.9 -41.64 99.5 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.6 t -83.45 -45.99 13.02 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.041 -0.664 . . . . 0.0 112.677 -178.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.473 ' N ' ' CG2' ' B' ' 39' ' ' THR . 95.8 mt-10 -72.46 -34.0 67.44 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.841 -178.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -118.16 37.05 4.12 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.0 t -53.27 -35.54 60.16 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.351 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.72 -57.25 5.49 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.675 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -64.44 -46.56 82.64 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -178.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' B' ' 46' ' ' ASP . 7.1 mp -91.9 -0.44 57.5 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' B' ' 45' ' ' LEU . 55.8 t0 -24.22 130.86 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.735 0.778 . . . . 0.0 111.954 -177.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.91 -17.57 64.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.869 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -54.48 -34.29 61.3 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.751 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -120.43 143.22 48.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 56.53 50.53 12.75 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.285 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 48.9 t -51.8 -39.48 24.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.691 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -77.19 7.04 5.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.504 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.35 -33.69 69.83 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.596 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.04 -46.05 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.282 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.54 -43.85 97.79 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.64 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -62.73 -40.42 97.13 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.365 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 72.5 t -66.31 -46.58 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.187 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.512 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.6 ppp? -67.72 -36.83 81.32 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.666 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' B' ' 58' ' ' MET . 40.1 tttp -59.13 -43.28 91.98 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.535 -0.466 . . . . 0.0 112.095 -178.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.48 -38.43 89.75 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.789 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.478 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 96.0 mt -67.59 -35.95 79.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.736 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -95.43 34.73 1.41 Allowed 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.95 -30.54 15.16 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.531 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 12.6 m120 -52.96 -33.63 52.08 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.489 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.95 2.48 61.01 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 108.849 -1.7 . . . . 0.0 108.849 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.688 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.4 p30 -61.61 -35.74 78.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.99 -0.605 . . . . 0.0 111.801 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.688 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.4 -13.26 67.63 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -122.07 151.17 41.16 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.6 132.37 47.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.61 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 84.8 m-20 -82.67 144.28 30.37 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.236 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.692 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 84.2 t80 -55.42 -41.31 72.6 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.757 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.41 -41.67 85.47 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.46 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.531 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.2 mt-10 -66.53 -39.89 88.85 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.916 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -64.44 -42.19 96.14 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.47 -40.17 83.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.211 -178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 63.8 t -64.17 -45.74 95.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.609 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.4 tp -67.04 -41.06 87.16 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -58.78 -33.53 49.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.109 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.07 87.01 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.42 -40.78 77.07 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.778 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.536 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 69.1 mt -63.54 -39.22 93.84 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -178.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -62.3 -42.68 99.56 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.21 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 94.9 t -63.87 -41.7 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.115 0.483 . . . . 0.0 109.892 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.29 73.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.04 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.536 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 74.7 m -54.81 -39.98 69.05 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.84 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.434 HD22 HD13 ' A' ' 12' ' ' ILE . 22.7 m120 -59.37 -36.39 75.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.721 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -53.32 -40.62 64.96 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.469 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -63.51 -37.63 88.05 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.948 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.527 ' O ' ' OD1' ' B' ' 92' ' ' ASN . 61.3 t80 -59.06 -45.89 89.64 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.159 0.504 . . . . 0.0 109.764 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -59.09 -32.12 69.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.565 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -55.57 -32.94 63.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.629 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.527 ' OD1' ' O ' ' B' ' 89' ' ' PHE . 27.2 p-10 -84.14 6.27 23.08 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.6 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.548 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.533 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 58.8 p -69.67 160.44 31.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.678 0.275 . . . . 0.0 110.647 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -63.19 -35.96 82.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.062 0.458 . . . . 0.0 110.36 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.08 -42.74 95.26 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.344 -177.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.51 -40.16 93.62 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 119.809 -0.756 . . . . 0.0 109.122 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.3 m -63.97 -38.11 89.89 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.338 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.24 96.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.315 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mtm -57.49 -41.26 80.37 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 117.851 -1.539 . . . . 0.0 108.857 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.585 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 98.4 mt-10 -68.47 -36.92 79.66 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.639 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.9 m -62.54 -44.24 96.84 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.401 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' O ' ' CD2' ' A' ' 15' ' ' PHE . 84.4 mt -59.9 -46.79 88.23 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.81 0.815 . . . . 0.0 110.391 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.438 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 81.0 mt -64.32 -39.73 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.308 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 2.4 m120 -60.62 -40.49 92.08 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.361 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 15' ' ' PHE . 26.9 m -76.53 -47.41 29.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 119.407 -0.917 . . . . 0.0 112.481 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.43 ' N ' HG23 ' A' ' 14' ' ' VAL . 59.3 m-85 -66.32 -42.41 88.28 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 119.735 -0.786 . . . . 0.0 110.6 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 85.7 t60 -61.29 -45.29 95.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.748 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.52 -52.0 36.84 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -62.47 -42.97 99.86 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.1 p -61.6 -30.99 71.04 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.02 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.36 -33.25 80.04 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -57.9 -38.55 76.02 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.207 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.499 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.3 mm-40 -131.66 148.42 52.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.933 0.397 . . . . 0.0 111.174 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.98 -162.6 2.39 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -71.59 143.86 49.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.848 0.356 . . . . 0.0 111.006 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -58.94 -39.94 83.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.766 0.794 . . . . 0.0 110.803 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.578 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.0 m-30 -72.18 -23.93 61.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.187 -1.369 . . . . 0.0 112.803 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -113.31 142.21 46.11 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.7 mt -104.15 133.58 48.84 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 113.515 -1.675 . . . . 0.0 106.962 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.2 m -100.9 164.16 11.96 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.554 ' CE ' ' OD1' ' A' ' 55' ' ' ASP . 63.5 tttm -52.23 -42.57 63.7 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 118.713 -1.195 . . . . 0.0 110.09 -177.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.94 -49.39 76.34 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.864 -0.734 . . . . 0.0 112.003 177.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.499 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.8 mt-10 -62.45 -39.59 93.86 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.569 -175.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.61 -40.49 97.13 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 114.475 -1.238 . . . . 0.0 109.308 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HZ3' HE22 ' A' ' 38' ' ' GLN . 7.4 tptp -60.61 -48.32 82.29 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.665 177.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.25 -37.04 80.36 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.884 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.48 ' N ' HD23 ' A' ' 36' ' ' LEU . 1.5 mm? -67.65 -50.66 56.76 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.016 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.41 -40.1 77.51 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 119.663 -0.815 . . . . 0.0 111.099 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.417 HE22 ' HZ3' ' A' ' 34' ' ' LYS . 51.9 tt0 -63.13 -42.08 99.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.221 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 3.2 t -83.87 -44.54 14.18 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.155 -0.618 . . . . 0.0 112.426 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.541 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 78.0 mm-40 -70.93 -34.78 71.84 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.284 -178.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -123.49 48.42 1.85 Allowed 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.291 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -57.14 -25.11 58.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.776 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.96 -68.72 1.29 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 85' ' ' CYS . 75.0 t80 -57.94 -45.44 86.6 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -177.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 46' ' ' ASP . 71.9 mt -93.39 -0.72 56.44 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.534 ' C ' ' O ' ' A' ' 45' ' ' LEU . 58.4 t0 -25.94 118.02 0.07 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.358 0.599 . . . . 0.0 111.23 -178.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.39 -22.41 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.738 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -55.52 -35.28 65.46 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.488 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -59.38 -41.6 89.74 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.422 ' OD2' ' OD1' ' A' ' 52' ' ' ASP . 60.6 t0 -147.39 119.68 8.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.235 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.27 -40.49 89.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 48.9 p30 -89.77 9.11 28.55 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.7 -33.34 72.73 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.82 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.24 -44.78 96.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.554 ' OD1' ' CE ' ' A' ' 30' ' ' LYS . 83.8 m-20 -60.69 -43.43 97.74 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.755 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -63.05 -38.35 90.83 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.477 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 60.0 t -64.01 -48.25 86.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.174 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.552 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 2.9 ppp? -74.58 -38.3 62.69 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-O 122.315 1.055 . . . . 0.0 113.308 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' N ' ' CG ' ' A' ' 58' ' ' MET . 54.6 tptt -63.0 -42.78 99.94 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 114.745 -1.116 . . . . 0.0 113.823 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.16 -32.44 72.71 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.589 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -68.15 -39.34 82.65 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 110.604 -2.998 . . . . 0.0 111.424 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.481 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 52.6 t0 -82.61 92.25 7.1 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 118.93 -1.108 . . . . 0.0 110.92 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -67.41 -39.14 85.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.102 0.477 . . . . 0.0 112.121 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.486 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 23.4 m120 -59.02 -37.16 76.29 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.564 -0.743 . . . . 0.0 112.394 -177.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.37 4.99 80.05 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 107.665 -2.174 . . . . 0.0 107.665 -177.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.2 p30 -62.41 -32.44 73.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 113.773 -1.214 . . . . 0.0 112.594 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.662 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.94 -10.3 62.08 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.513 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 84.3 tt0 -112.25 140.85 46.62 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.4 t -102.66 131.28 51.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.688 0.756 . . . . 0.0 112.563 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -90.08 145.47 25.04 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.332 -1.304 . . . . 0.0 107.968 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -54.43 -39.44 67.36 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.728 -0.789 . . . . 0.0 109.64 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.42 -39.7 88.36 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.289 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.486 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.5 mt-10 -68.4 -41.15 80.89 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.005 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -64.79 -43.34 93.54 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 m -65.64 -35.9 76.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.863 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.64 -45.24 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.184 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' A' ' 57' ' ' VAL . 33.7 tp -65.19 -39.77 93.3 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.647 179.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 49.7 t -62.16 -38.17 80.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -56.01 -39.46 71.94 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.105 -177.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.1 -42.9 75.51 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.407 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.39 -38.02 89.58 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.557 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -60.09 -38.01 81.64 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 119.571 -0.852 . . . . 0.0 110.052 -179.445 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.03 -42.95 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -34.54 78.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.443 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.557 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -59.54 -33.15 71.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.286 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -54.87 -36.99 65.69 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.867 0.365 . . . . 0.0 110.806 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -52.87 -38.52 61.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.05 -42.84 91.26 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.18 -45.5 90.88 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.917 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -58.44 -34.8 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.134 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.45 -33.65 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.693 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -55.68 -34.6 65.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.648 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.596 -179.921 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.541 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 58.4 p -69.66 160.46 31.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.633 0.254 . . . . 0.0 110.726 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -63.19 -35.94 81.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.042 0.449 . . . . 0.0 110.375 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.09 -42.76 95.32 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.398 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.55 -40.1 93.47 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.163 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.0 m -64.01 -38.09 89.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.348 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.24 96.14 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.242 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mtm -57.51 -41.2 80.33 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 117.866 -1.534 . . . . 0.0 108.845 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.588 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 98.4 mt-10 -68.5 -36.93 79.6 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.659 178.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.3 m -62.56 -44.26 96.78 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.394 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -59.84 -46.78 88.19 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.734 0.778 . . . . 0.0 110.434 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' B' ' 16' ' ' HIS . 80.7 mt -64.36 -39.68 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.379 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.588 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 2.3 m120 -60.67 -40.44 92.09 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.364 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.426 HG23 ' N ' ' B' ' 15' ' ' PHE . 26.8 m -76.63 -47.31 29.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 119.367 -0.933 . . . . 0.0 112.454 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.426 ' N ' HG23 ' B' ' 14' ' ' VAL . 58.8 m-85 -66.37 -42.31 88.17 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.625 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.44 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 85.7 t60 -61.36 -45.29 95.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.705 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.65 -51.89 37.14 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -62.44 -42.94 99.82 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 85.3 p -61.62 -30.96 71.04 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.012 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.44 -33.19 80.22 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.382 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -57.79 -38.59 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.168 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.506 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.2 mm-40 -131.77 148.47 52.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.943 0.401 . . . . 0.0 111.127 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.8 -162.52 2.31 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -71.58 143.8 49.73 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.474 -0.363 . . . . 0.0 111.057 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -58.79 -40.02 82.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.763 0.792 . . . . 0.0 110.784 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.0 m-30 -72.22 -23.87 61.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.257 -1.338 . . . . 0.0 112.779 -175.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -113.35 142.25 46.09 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.1 mt -104.11 133.56 48.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 113.617 -1.629 . . . . 0.0 106.992 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 41.1 m -100.96 164.1 11.98 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.56 ' CE ' ' OD1' ' B' ' 55' ' ' ASP . 63.4 tttm -52.18 -42.61 63.59 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 118.728 -1.189 . . . . 0.0 110.07 -177.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.94 -49.37 76.42 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.987 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.506 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.8 mt-10 -62.48 -39.55 93.82 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.613 -175.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.56 -40.54 97.17 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.334 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.43 ' HZ3' HE22 ' B' ' 38' ' ' GLN . 7.4 tptp -60.56 -48.41 81.89 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.66 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -68.17 -37.05 80.55 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.114 -0.635 . . . . 0.0 111.911 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.475 HD23 ' N ' ' B' ' 36' ' ' LEU . 1.5 mm? -67.65 -50.71 56.54 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.988 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 47.4 mt -69.37 -40.15 77.63 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.127 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.43 HE22 ' HZ3' ' B' ' 34' ' ' LYS . 51.9 tt0 -63.1 -42.01 99.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.189 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 3.2 t -83.91 -44.61 14.07 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.146 -0.621 . . . . 0.0 112.415 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.533 ' OE1' ' CB ' ' A' ' 2' ' ' SER . 78.0 mm-40 -70.9 -34.75 71.88 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.319 -178.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -123.51 48.32 1.87 Allowed 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.354 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -56.98 -25.21 57.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.837 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.97 -68.66 1.29 Allowed Glycine 0 CA--C 1.531 1.088 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' B' ' 85' ' ' CYS . 75.1 t80 -57.98 -45.41 86.81 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.53 ' O ' ' C ' ' B' ' 46' ' ' ASP . 71.8 mt -93.29 -0.89 56.57 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -179.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.53 ' C ' ' O ' ' B' ' 45' ' ' LEU . 58.3 t0 -25.8 118.03 0.07 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.354 0.597 . . . . 0.0 111.287 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.43 -22.41 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.795 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -55.52 -35.33 65.51 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.582 -178.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -59.27 -41.71 89.5 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.433 ' OD2' ' OD1' ' B' ' 52' ' ' ASP . 60.6 t0 -147.29 119.64 8.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.257 178.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.22 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' B' ' 52' ' ' ASP . 48.9 p30 -89.78 9.05 28.79 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -178.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.65 -33.43 72.8 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.827 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 77.6 t -60.13 -44.85 96.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.56 ' OD1' ' CE ' ' B' ' 30' ' ' LYS . 83.8 m-20 -60.65 -43.35 97.71 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.816 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -63.13 -38.4 91.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.406 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' B' ' 61' ' ' LEU . 59.1 t -63.99 -48.24 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.217 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.562 ' O ' ' HG ' ' B' ' 61' ' ' LEU . 2.9 ppp? -74.55 -38.37 62.74 Favored 'General case' 0 C--O 1.206 -1.211 0 CA-C-O 122.236 1.017 . . . . 0.0 113.259 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.422 ' N ' ' CG ' ' B' ' 58' ' ' MET . 54.7 tptt -62.95 -42.78 99.92 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.767 -1.106 . . . . 0.0 113.803 -176.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.13 -32.43 72.7 Favored 'General case' 0 CA--C 1.489 -1.374 0 CA-C-O 123.652 1.691 . . . . 0.0 106.496 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.606 ' C ' ' CD1' ' B' ' 61' ' ' LEU . 0.0 OUTLIER -68.19 -39.32 82.53 Favored 'General case' 0 N--CA 1.422 -1.827 0 CA-C-N 110.556 -3.02 . . . . 0.0 111.436 179.758 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.492 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 52.6 t0 -82.61 92.31 7.11 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 118.982 -1.087 . . . . 0.0 110.921 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -67.5 -39.06 85.18 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.05 0.452 . . . . 0.0 112.11 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.495 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 23.5 m120 -59.1 -37.15 76.48 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.271 -176.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.33 5.07 80.08 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 -177.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.2 p30 -62.45 -32.55 73.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 113.723 -1.239 . . . . 0.0 112.477 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.662 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 99.01 -10.36 61.96 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -178.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.522 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 84.3 tt0 -112.23 140.9 46.55 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 69.6 t -102.67 131.27 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.637 0.732 . . . . 0.0 112.553 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -90.15 145.48 25.01 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 114.333 -1.303 . . . . 0.0 107.897 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -54.42 -39.47 67.36 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 119.72 -0.792 . . . . 0.0 109.625 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.33 -39.65 87.82 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.369 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.495 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.5 mt-10 -68.51 -41.0 80.59 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.037 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -64.97 -43.22 93.34 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 20.0 m -65.65 -35.93 76.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.921 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.61 -45.26 99.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 119.715 -0.794 . . . . 0.0 110.204 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.402 ' CD2' ' O ' ' B' ' 57' ' ' VAL . 33.6 tp -65.13 -39.89 93.69 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.603 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.01 -38.27 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.41 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -55.98 -39.5 71.9 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.067 -177.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.11 -42.84 75.56 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.394 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.39 -38.1 89.83 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.556 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 0.9 OUTLIER -60.16 -37.95 81.7 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.035 -179.409 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.0 -43.01 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.62 78.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.419 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -59.46 -33.14 70.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.251 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -54.84 -37.03 65.66 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 120.936 0.398 . . . . 0.0 110.792 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -52.95 -38.46 62.04 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.07 -42.95 91.59 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.07 -45.44 90.81 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.966 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -58.49 -34.7 71.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.187 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.54 -33.66 68.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.718 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -55.66 -34.55 65.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.675 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.504 -179.849 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p -69.68 162.34 27.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.705 0.288 . . . . 0.0 110.599 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.04 -35.21 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.212 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.447 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 29.7 tp -59.14 -39.57 82.8 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.16 -179.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.28 -40.81 87.28 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 119.512 -0.875 . . . . 0.0 108.753 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.4 m -65.91 -37.7 86.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.83 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.11 -46.22 88.37 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.69 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.4 mtm -58.55 -40.48 83.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 118.844 -1.142 . . . . 0.0 109.064 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.585 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.8 mt-10 -67.17 -37.23 83.37 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.85 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.9 m -62.23 -43.72 98.18 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.08 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.29 -44.88 95.51 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.009 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.4 HD12 HG21 ' A' ' 12' ' ' ILE . 79.0 mt -65.82 -43.88 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.886 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 85.7 m-20 -59.99 -39.18 84.83 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.309 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.0 t -65.44 -42.88 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -59.94 -49.1 79.02 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.177 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.26 -39.87 94.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.457 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.7 98.55 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -100.86 -33.1 10.36 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -177.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.484 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 86.4 p -60.74 -29.35 69.33 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.971 -178.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.4 -27.51 63.36 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 115.476 -0.784 . . . . 0.0 114.537 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -56.76 -43.59 80.91 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.416 1.108 . . . . 0.0 112.343 -176.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 76.8 mm-40 -135.54 143.28 45.63 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.356 0.598 . . . . 0.0 111.717 178.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.86 -167.52 54.86 Favored Glycine 0 CA--C 1.518 0.268 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -72.8 143.49 47.87 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.8 -38.68 82.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.272 1.034 . . . . 0.0 108.792 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 68.9 m-85 -71.56 -21.14 61.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.017 -1.901 . . . . 0.0 113.129 -178.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.528 ' HZ1' ' CD ' ' A' ' 68' ' ' GLU . 23.1 tptm -112.27 140.54 46.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 109.944 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' A' ' 69' ' ' VAL . 0.5 OUTLIER -96.76 132.58 42.32 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.635 -177.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.4 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 49.0 m -102.72 152.83 20.76 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.52 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 76.6 tttt -56.39 -42.12 77.41 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.175 -178.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -59.83 -49.11 78.98 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.828 0.823 . . . . 0.0 110.718 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.552 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.6 mt-10 -61.69 -37.62 84.82 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.392 -177.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.8 tp -63.29 -43.18 98.62 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.988 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.541 ' NZ ' ' NE2' ' A' ' 38' ' ' GLN . 6.9 tptp -59.94 -42.2 93.5 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.613 177.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -69.42 -39.14 78.07 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.416 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.42 -48.87 68.65 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 119.213 -0.995 . . . . 0.0 112.189 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.0 mt -68.8 -42.33 77.45 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.309 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.541 ' NE2' ' NZ ' ' A' ' 34' ' ' LYS . 51.5 tt0 -63.67 -42.35 98.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.489 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.1 t -85.18 -46.28 11.23 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.584 -0.846 . . . . 0.0 112.335 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.489 ' N ' ' CG2' ' A' ' 39' ' ' THR . 96.0 mt-10 -73.29 -33.77 65.38 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.231 -0.587 . . . . 0.0 112.039 -178.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -121.4 41.35 3.36 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.053 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -54.25 -32.16 55.33 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.157 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.75 -64.86 1.59 Allowed Glycine 0 CA--C 1.533 1.158 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.549 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -57.86 -44.45 86.59 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.539 ' O ' ' C ' ' A' ' 46' ' ' ASP . 8.4 mp -94.87 -0.93 53.61 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.539 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.0 t0 -22.77 100.42 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.73 0.776 . . . . 0.0 111.485 -177.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' ASP . . . -64.16 -21.8 66.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 114.23 -1.35 . . . . 0.0 111.928 -179.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.99 -35.34 64.24 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.536 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.502 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 75.1 mmtt -59.81 -37.85 80.31 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.502 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.6 m-20 -141.03 101.29 4.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.332 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.35 -40.85 89.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -84.17 -1.09 54.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.03 -30.13 70.13 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.894 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.9 t -57.84 -45.42 87.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.513 -179.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.52 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 89.9 m-20 -62.59 -41.47 98.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.447 0.641 . . . . 0.0 110.365 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -59.83 -39.49 85.29 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.786 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.47 -44.14 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.015 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.5 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.0 ppp? -63.81 -38.47 91.23 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.761 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 58' ' ' MET . 95.9 mttt -59.01 -38.83 80.15 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.699 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.93 -37.05 86.34 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.786 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.486 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 96.2 mt -67.08 -37.02 83.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.753 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.593 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 51.5 t0 -76.06 85.96 2.94 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.439 -0.905 . . . . 0.0 110.53 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -66.9 -39.4 87.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.85 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' A' ' 66' ' ' ASP . 43.9 p-10 -89.23 0.39 56.8 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -177.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.458 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 74.93 11.23 83.85 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.949 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.2 p30 -62.9 -33.27 74.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.733 0.301 . . . . 0.0 111.8 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 97.21 -5.01 62.84 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.528 ' CD ' ' HZ1' ' A' ' 27' ' ' LYS . 80.0 tt0 -115.47 148.42 39.47 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.49 ' O ' ' O ' ' A' ' 28' ' ' LEU . 48.4 t -106.09 133.84 49.38 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-O 121.708 0.766 . . . . 0.0 112.771 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.6 t0 -103.4 149.09 25.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.266 178.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.441 ' CZ ' ' CG1' ' A' ' 75' ' ' VAL . 65.9 t80 -52.72 -39.87 62.46 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.336 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.24 -40.66 78.04 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.009 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.486 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.3 mt-10 -67.41 -41.19 85.31 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.419 0.628 . . . . 0.0 111.068 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -64.77 -42.18 95.31 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.441 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 32.1 m -64.12 -37.16 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -176.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.406 ' N ' HG23 ' A' ' 75' ' ' VAL . 33.9 m -72.69 -43.11 62.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 118.745 -1.182 . . . . 0.0 111.745 -179.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.32 -40.92 81.49 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 p -59.23 -33.14 49.86 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.738 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -58.69 -37.49 76.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.262 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.02 -42.2 76.71 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.138 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.09 -38.71 91.62 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.1 t -58.62 -40.27 82.82 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 118.895 -1.122 . . . . 0.0 109.509 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.58 -41.25 89.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.0 74.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.017 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.2 m -55.59 -34.33 64.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.595 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 19.1 t-20 -55.02 -37.56 66.79 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.044 0.45 . . . . 0.0 110.47 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -53.21 -38.78 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -58.96 -42.64 90.38 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -58.78 -45.78 89.03 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.557 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.595 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 90.5 m95 -59.15 -34.56 72.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.199 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.64 -33.4 68.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.454 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -100.23 120.06 39.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.605 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 56.4 p -69.7 162.37 27.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.565 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.99 -35.25 77.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.222 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.447 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 29.5 tp -59.1 -39.53 82.52 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.205 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.4 -40.86 87.97 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 119.463 -0.895 . . . . 0.0 108.629 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 49.1 m -65.89 -37.54 86.38 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.918 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.28 88.02 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.382 -0.827 . . . . 0.0 112.718 -177.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 58.3 mtm -58.52 -40.52 83.11 Favored 'General case' 0 CA--C 1.514 -0.434 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.03 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.587 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.9 mt-10 -67.2 -37.23 83.3 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.753 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 43.9 m -62.2 -43.73 98.18 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.141 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.23 -44.95 95.4 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.035 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.8 -43.88 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.805 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 86.0 m-20 -60.06 -39.14 84.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.3 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 76.7 t -65.41 -42.86 94.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -59.96 -49.08 79.06 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 114.952 -1.022 . . . . 0.0 112.142 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.25 -39.83 94.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.5 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.71 98.67 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -100.86 -33.0 10.4 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.474 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 86.4 p -60.83 -29.43 69.49 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.894 -178.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.36 -27.52 63.28 Favored Glycine 0 CA--C 1.535 1.302 0 CA-C-N 115.49 -0.777 . . . . 0.0 114.497 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -56.72 -43.51 80.7 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 118.488 1.144 . . . . 0.0 112.422 -176.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.537 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 76.8 mm-40 -135.62 143.29 45.47 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.344 0.593 . . . . 0.0 111.718 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.81 -167.5 54.84 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -72.85 143.5 47.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.83 -38.68 82.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.263 1.03 . . . . 0.0 108.746 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 69.6 m-85 -71.61 -21.1 61.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.08 -1.873 . . . . 0.0 113.034 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.532 ' HZ1' ' CD ' ' B' ' 68' ' ' GLU . 23.1 tptm -112.24 140.6 46.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 110.037 -179.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.494 ' O ' ' O ' ' B' ' 69' ' ' VAL . 0.5 OUTLIER -96.73 132.58 42.27 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.643 -177.85 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.402 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 48.9 m -102.69 152.8 20.79 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.517 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 76.6 tttt -56.36 -42.2 77.42 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.176 -178.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -59.78 -49.11 78.99 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.786 0.803 . . . . 0.0 110.723 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.537 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.6 mt-10 -61.72 -37.64 84.94 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.391 -177.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 62.9 tp -63.4 -43.09 98.52 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.912 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.542 ' NZ ' ' NE2' ' B' ' 38' ' ' GLN . 6.9 tptp -59.96 -42.26 93.71 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.522 177.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -69.36 -39.14 78.26 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.401 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.47 -48.79 68.75 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.121 -1.032 . . . . 0.0 112.204 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.83 -42.32 77.36 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.281 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.542 ' NE2' ' NZ ' ' B' ' 34' ' ' LYS . 51.4 tt0 -63.66 -42.38 98.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.0 t -85.17 -46.25 11.27 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.64 -0.824 . . . . 0.0 112.371 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.479 ' N ' ' CG2' ' B' ' 39' ' ' THR . 95.9 mt-10 -73.26 -33.92 65.52 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.997 -178.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -121.33 41.36 3.35 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.042 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -54.29 -32.25 55.88 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.115 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.69 -64.86 1.59 Allowed Glycine 0 CA--C 1.534 1.22 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.552 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -57.86 -44.44 86.57 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -177.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' B' ' 46' ' ' ASP . 8.4 mp -94.78 -0.95 53.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.534 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.0 t0 -22.75 100.57 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.735 0.778 . . . . 0.0 111.417 -177.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' B' ' 50' ' ' ASP . . . -64.46 -21.68 66.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.844 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.94 -35.42 64.2 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.529 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.5 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 75.1 mmtt -59.74 -37.91 80.27 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.5 m-20 -140.98 101.3 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.365 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.42 -40.82 89.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -84.18 -1.01 54.33 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.19 -29.99 70.14 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.893 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 64.9 t -57.82 -45.47 87.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 119.969 -0.693 . . . . 0.0 110.594 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.517 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 90.0 m-20 -62.59 -41.45 98.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.462 0.649 . . . . 0.0 110.36 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -59.79 -39.45 84.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.854 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.1 t -67.44 -44.26 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.997 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.501 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.0 ppp? -63.76 -38.52 91.41 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.746 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' B' ' 58' ' ' MET . 95.9 mttt -58.94 -38.91 80.09 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 119.397 -0.921 . . . . 0.0 110.652 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.85 -37.08 86.44 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.274 -0.57 . . . . 0.0 109.834 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 96.3 mt -67.04 -37.09 83.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.753 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.595 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 51.5 t0 -76.1 86.04 2.97 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.608 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -66.91 -39.44 87.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.804 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.402 ' ND2' ' HB3' ' B' ' 66' ' ' ASP . 43.8 p-10 -89.31 0.43 56.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -176.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.469 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 75.05 11.14 84.14 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.887 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.643 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.3 p30 -62.81 -33.35 75.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.718 0.295 . . . . 0.0 111.733 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.643 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 97.26 -5.05 62.77 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.532 ' CD ' ' HZ1' ' B' ' 27' ' ' LYS . 80.0 tt0 -115.5 148.35 39.58 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.494 ' O ' ' O ' ' B' ' 28' ' ' LEU . 48.4 t -106.03 133.77 49.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.674 0.75 . . . . 0.0 112.805 -177.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.7 t0 -103.42 149.18 25.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.279 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.451 ' CZ ' ' CG1' ' B' ' 75' ' ' VAL . 66.0 t80 -52.63 -39.95 62.26 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.372 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.28 -40.58 78.04 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.09 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.488 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 98.3 mt-10 -67.4 -41.23 85.26 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.376 0.607 . . . . 0.0 111.08 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -64.69 -42.17 95.51 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.451 ' CG1' ' CZ ' ' B' ' 71' ' ' PHE . 32.3 m -64.2 -37.04 78.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -176.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.402 ' N ' HG23 ' B' ' 75' ' ' VAL . 34.0 m -72.85 -43.11 60.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 118.695 -1.202 . . . . 0.0 111.636 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.5 tp -68.26 -40.99 81.73 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 p -59.15 -33.21 49.88 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.767 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.438 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -58.66 -37.47 76.05 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.332 -179.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.99 -42.29 76.69 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.168 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 7.1 mp -64.99 -38.69 91.79 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.1 t -58.59 -40.3 82.8 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 118.862 -1.135 . . . . 0.0 109.501 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.55 -41.3 89.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.3 -32.97 74.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.972 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 70.9 m -55.58 -34.43 64.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.595 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 19.1 t-20 -54.85 -37.61 66.42 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.1 0.476 . . . . 0.0 110.502 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -53.28 -38.68 63.3 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.03 -42.71 90.86 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -58.72 -45.7 89.0 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.586 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.595 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 90.4 m95 -59.24 -34.5 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.21 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.68 -33.36 68.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.466 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -100.21 119.92 39.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.523 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.584 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.8 p -69.73 162.06 28.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.564 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.84 -34.51 76.1 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.422 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 48.9 tp -57.22 -40.0 76.62 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.362 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.18 -39.57 90.63 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 119.334 -0.947 . . . . 0.0 109.482 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.5 ' O ' ' OG1' ' A' ' 10' ' ' THR . 45.8 m -63.84 -42.37 97.61 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.14 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.27 91.06 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.457 0.646 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmm -52.14 -50.72 61.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.835 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -70.08 -36.26 74.8 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.18 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' A' ' 6' ' ' THR . 57.1 m -58.83 -42.75 89.99 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.45 -47.67 81.2 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 121.9 0.857 . . . . 0.0 110.428 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.452 HD12 HG23 ' A' ' 12' ' ' ILE . 78.9 mt -64.3 -38.85 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.139 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -59.81 -39.98 86.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.619 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.427 HG21 ' N ' ' A' ' 15' ' ' PHE . 28.5 m -77.46 -47.85 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 C-N-CA 119.598 -0.841 . . . . 0.0 112.596 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.457 ' CZ ' ' CE2' ' A' ' 74' ' ' TYR . 72.7 m-85 -67.48 -43.15 81.65 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 118.961 -1.095 . . . . 0.0 111.724 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -62.42 -44.37 96.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.831 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.5 74.8 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -177.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.529 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 6.1 t60 -70.13 -44.39 69.01 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 120.943 0.401 . . . . 0.0 111.692 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.532 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 85.1 p -60.79 -29.96 69.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.509 -178.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.97 -33.9 76.21 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.772 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -58.26 -40.19 81.17 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.266 -178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.535 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.6 mt-10 -137.34 143.96 42.3 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.814 179.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.67 -165.38 52.46 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -72.31 147.93 45.88 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.036 0.446 . . . . 0.0 110.018 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' O ' ' OG ' ' A' ' 19' ' ' SER . 64.9 mttm -58.86 -32.73 69.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.668 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -105.47 13.85 29.53 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HZ1' ' HB2' ' A' ' 70' ' ' ASP . 36.0 tptt -123.7 132.83 53.92 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.538 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' O ' ' O ' ' A' ' 69' ' ' VAL . 56.2 mt -100.67 137.15 39.45 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.351 0.596 . . . . 0.0 109.994 177.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -101.29 157.5 16.74 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.604 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 58.4 tttt -51.46 -41.73 61.09 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 119.016 -1.074 . . . . 0.0 109.2 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -61.86 -50.41 72.36 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.199 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.535 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.3 mt-10 -63.53 -41.48 98.48 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.674 -176.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.57 -42.97 99.88 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.008 -0.997 . . . . 0.0 110.155 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.526 ' HZ2' ' CD ' ' A' ' 38' ' ' GLN . 11.8 tptp -61.49 -46.33 90.48 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.898 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.64 -38.06 86.12 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 119.766 -0.774 . . . . 0.0 111.951 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.403 HD22 ' CG ' ' A' ' 18' ' ' HIS . 85.8 mt -66.31 -46.39 77.1 Favored 'General case' 0 CA--C 1.519 -0.243 0 C-N-CA 119.238 -0.985 . . . . 0.0 111.931 178.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.0 mt -68.47 -43.13 77.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 119.064 -1.054 . . . . 0.0 110.907 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.526 ' CD ' ' HZ2' ' A' ' 34' ' ' LYS . 51.4 tt0 -64.43 -42.29 96.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.022 -0.99 . . . . 0.0 113.322 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.9 t -83.57 -47.03 11.73 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.776 -0.77 . . . . 0.0 112.302 -178.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' A' ' 39' ' ' THR . 95.7 mt-10 -73.18 -33.76 65.61 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.173 -0.611 . . . . 0.0 111.492 -178.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mp -122.11 51.9 1.32 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.476 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -54.83 -31.77 59.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.44 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.8 -67.92 1.41 Allowed Glycine 0 CA--C 1.532 1.095 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.295 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -57.68 -43.42 85.07 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -177.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.61 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -91.63 -3.47 56.33 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' A' ' 45' ' ' LEU . 61.2 t0 -24.66 84.62 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.496 0.665 . . . . 0.0 111.495 -177.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.61 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -65.74 -21.77 66.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.758 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.24 -35.14 64.63 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.088 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.523 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 48.0 mmtt -58.99 -37.95 78.04 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.523 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.9 m-20 -142.14 87.36 2.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.009 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.7 t -60.41 -44.34 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.304 0.573 . . . . 0.0 111.184 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.6 -33.13 71.09 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.869 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.05 -28.41 62.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.847 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.5 t -56.49 -44.72 81.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.15 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.604 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 84.4 m-20 -61.88 -41.54 98.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.485 0.659 . . . . 0.0 110.082 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -61.77 -39.4 91.51 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.361 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.0 t -66.47 -46.77 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.0 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.484 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.1 ppp? -64.94 -35.61 81.71 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.957 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 58' ' ' MET . 80.1 tttt -57.73 -41.11 81.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.014 -0.675 . . . . 0.0 109.949 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.04 -36.75 85.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.009 0.433 . . . . 0.0 110.302 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.476 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 84.4 mt -66.6 -36.29 82.24 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.56 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.544 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 50.7 t0 -75.12 85.44 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.301 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.84 -38.35 88.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.398 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.405 ' ND2' ' HB3' ' A' ' 66' ' ' ASP . 43.9 p-10 -90.02 0.57 57.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 -177.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.449 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 73.16 14.31 79.07 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.86 178.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.8 p30 -62.27 -33.11 74.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.876 0.369 . . . . 0.0 111.777 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.1 -7.46 62.42 Favored Glycine 0 CA--C 1.519 0.317 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 80.5 tt0 -115.35 146.55 41.44 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 178.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.511 ' O ' ' O ' ' A' ' 28' ' ' LEU . 48.1 t -104.32 132.81 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 111.662 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.8 t0 -97.92 145.54 26.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.589 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.464 ' CE2' ' CG1' ' A' ' 75' ' ' VAL . 79.2 t80 -51.14 -39.45 56.31 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.02 -41.06 82.33 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.526 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.476 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.9 mt-10 -67.16 -40.74 86.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.524 0.678 . . . . 0.0 110.128 178.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.457 ' CE2' ' CZ ' ' A' ' 15' ' ' PHE . 93.1 t80 -64.59 -41.37 96.29 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.464 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 26.1 m -62.68 -37.62 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 119.604 -0.838 . . . . 0.0 111.971 -177.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.412 ' N ' HG23 ' A' ' 75' ' ' VAL . 79.5 t -62.03 -44.7 99.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 118.957 -1.097 . . . . 0.0 110.538 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.0 tp -67.54 -41.5 84.21 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 79' ' ' ALA . 3.5 p -57.56 -34.42 47.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.282 -177.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.403 ' N ' HG13 ' A' ' 78' ' ' VAL . . . -60.42 -39.32 86.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.072 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.91 -42.12 73.76 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.296 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -64.84 -38.66 91.71 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.539 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -59.58 -40.47 87.48 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 118.883 -1.127 . . . . 0.0 109.545 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.84 -41.64 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.044 0.449 . . . . 0.0 109.93 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.9 -34.79 78.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.605 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 77.6 m -58.17 -35.17 71.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.602 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.504 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 50.6 t30 -55.69 -36.86 67.61 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.588 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.455 ' HA ' ' NE1' ' A' ' 90' ' ' TRP . 20.5 t-20 -54.57 -42.13 70.67 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -63.78 -43.58 95.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.848 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.82 -49.59 77.12 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' A' ' 86' ' ' ASN . 70.6 p-90 -87.6 0.37 55.73 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 119.564 -0.854 . . . . 0.0 112.033 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.0 -33.93 65.31 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.348 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -104.76 137.17 42.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.486 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.551 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.6 p -69.62 162.1 28.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.717 0.294 . . . . 0.0 110.627 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.9 -34.47 76.09 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.682 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.431 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 49.0 tp -57.23 -40.07 76.81 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.31 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.1 -39.67 90.85 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.398 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.516 ' O ' ' OG1' ' B' ' 10' ' ' THR . 46.0 m -63.81 -42.4 97.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.114 178.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.17 91.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.438 0.637 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmm -52.16 -50.69 61.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.891 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -70.13 -36.18 74.61 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.246 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.516 ' OG1' ' O ' ' B' ' 6' ' ' THR . 56.9 m -58.82 -42.71 89.84 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -57.56 -47.63 81.54 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 121.861 0.839 . . . . 0.0 110.393 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.436 HG23 HD12 ' B' ' 12' ' ' ILE . 78.7 mt -64.31 -38.85 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.125 178.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -59.79 -39.97 86.73 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.634 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.433 HG21 ' N ' ' B' ' 15' ' ' PHE . 28.4 m -77.57 -47.81 25.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 119.594 -0.842 . . . . 0.0 112.557 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.46 ' CZ ' ' CE2' ' B' ' 74' ' ' TYR . 72.7 m-85 -67.47 -43.21 81.56 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 119.07 -1.052 . . . . 0.0 111.661 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -62.44 -44.32 96.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.871 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.4 74.97 Favored 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.518 ' CD2' ' C ' ' B' ' 18' ' ' HIS . 6.0 t60 -70.27 -44.19 68.93 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 120.791 0.329 . . . . 0.0 111.782 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.541 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 84.8 p -60.75 -29.93 69.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.617 -178.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.94 -33.91 76.12 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.848 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -58.26 -40.12 81.0 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.283 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.521 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.6 mt-10 -137.44 143.86 42.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 110.771 179.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.67 -165.36 52.49 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -72.31 147.93 45.87 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.077 0.465 . . . . 0.0 109.975 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.541 ' O ' ' OG ' ' B' ' 19' ' ' SER . 64.8 mttm -58.95 -32.63 69.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.711 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 75.2 m-85 -105.51 13.9 29.42 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -176.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.401 ' HZ1' ' HB2' ' B' ' 70' ' ' ASP . 36.1 tptt -123.7 132.84 53.92 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.548 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.516 ' O ' ' O ' ' B' ' 69' ' ' VAL . 56.0 mt -100.67 137.2 39.39 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 121.4 0.619 . . . . 0.0 109.95 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -101.34 157.55 16.71 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.608 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 58.5 tttt -51.52 -41.68 61.2 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 118.934 -1.106 . . . . 0.0 109.273 -178.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.79 -50.51 72.05 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.193 -0.603 . . . . 0.0 112.126 177.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.521 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -63.53 -41.48 98.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.614 -175.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.62 -42.9 99.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.204 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.532 ' HZ2' ' CD ' ' B' ' 38' ' ' GLN . 11.8 tptp -61.6 -46.26 90.61 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.833 177.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.71 -38.03 85.9 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.928 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.403 HD22 ' CG ' ' B' ' 18' ' ' HIS . 85.6 mt -66.34 -46.46 76.75 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.882 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 77.7 mt -68.44 -43.09 77.84 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 119.079 -1.048 . . . . 0.0 110.884 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.532 ' CD ' ' HZ2' ' B' ' 34' ' ' LYS . 51.4 tt0 -64.48 -42.3 95.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.025 -0.989 . . . . 0.0 113.35 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.494 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.9 t -83.51 -47.0 11.8 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.758 -0.777 . . . . 0.0 112.386 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.494 ' N ' ' CG2' ' B' ' 39' ' ' THR . 95.7 mt-10 -73.18 -33.79 65.62 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.481 -178.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mp -122.13 51.94 1.32 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.468 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -54.9 -31.72 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.435 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.78 -67.99 1.4 Allowed Glycine 0 CA--C 1.533 1.156 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.348 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -57.66 -43.3 84.88 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.612 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.6 OUTLIER -91.69 -3.54 56.16 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' B' ' 45' ' ' LEU . 61.3 t0 -24.71 84.63 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.565 0.698 . . . . 0.0 111.541 -177.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.612 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -65.78 -21.7 66.52 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.838 -1.073 . . . . 0.0 111.784 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -55.21 -35.16 64.58 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.16 -178.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.516 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 48.1 mmtt -58.99 -37.86 77.84 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.516 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.2 m-20 -142.33 87.43 2.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.964 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 39.7 t -60.38 -44.38 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.272 0.558 . . . . 0.0 111.199 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.62 -33.07 71.03 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.837 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.07 -28.36 62.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.862 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.6 t -56.49 -44.74 81.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.162 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.608 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 84.3 m-20 -61.86 -41.58 98.01 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.433 0.635 . . . . 0.0 110.073 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -61.72 -39.46 91.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.321 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.38 -46.91 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.995 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.487 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.1 ppp? -64.84 -35.7 81.96 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.038 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' B' ' 58' ' ' MET . 80.0 tttt -57.62 -41.11 80.68 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.98 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.18 -36.57 84.62 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.319 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.495 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 84.3 mt -66.69 -36.27 82.11 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.477 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.561 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 50.7 t0 -75.1 85.41 2.35 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.326 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.98 -38.23 88.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.368 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.404 ' ND2' ' HB3' ' B' ' 66' ' ' ASP . 44.0 p-10 -90.03 0.52 57.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.444 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 73.26 14.28 79.25 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.89 178.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.8 p30 -62.28 -33.13 74.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.818 0.342 . . . . 0.0 111.704 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.01 -7.37 62.57 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 80.6 tt0 -115.36 146.57 41.44 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.516 ' O ' ' O ' ' B' ' 28' ' ' LEU . 48.0 t -104.23 132.72 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.515 0.674 . . . . 0.0 111.679 -178.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.9 t0 -97.88 145.54 26.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.624 178.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.465 ' CE2' ' CG1' ' B' ' 75' ' ' VAL . 79.3 t80 -51.16 -39.44 56.35 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -57.91 -41.09 81.93 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.552 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.495 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 98.9 mt-10 -67.17 -40.72 86.65 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.175 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.46 ' CE2' ' CZ ' ' B' ' 15' ' ' PHE . 93.1 t80 -64.65 -41.33 96.19 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.465 ' CG1' ' CE2' ' B' ' 71' ' ' PHE . 26.4 m -62.82 -37.49 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 119.583 -0.847 . . . . 0.0 111.905 -177.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.417 ' N ' HG23 ' B' ' 75' ' ' VAL . 79.8 t -62.11 -44.68 99.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 118.932 -1.107 . . . . 0.0 110.451 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 26.3 tp -67.58 -41.53 83.99 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.409 HG13 ' N ' ' B' ' 79' ' ' ALA . 3.5 p -57.54 -34.38 46.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.342 -177.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.409 ' N ' HG13 ' B' ' 78' ' ' VAL . . . -60.44 -39.33 87.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.056 -179.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.88 -42.18 73.78 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.295 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 0.7 OUTLIER -64.75 -38.76 92.08 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -179.473 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -59.55 -40.48 87.4 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 118.806 -1.158 . . . . 0.0 109.574 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.85 -41.64 91.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.039 0.447 . . . . 0.0 109.883 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.76 78.65 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.682 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 76.7 m -58.14 -35.19 71.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.655 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.5 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 50.8 t30 -55.64 -36.9 67.53 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.532 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.455 ' HA ' ' NE1' ' B' ' 90' ' ' TRP . 20.5 t-20 -54.62 -42.17 70.89 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -63.65 -43.61 96.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.894 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -59.82 -49.75 76.48 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.607 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.5 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 70.6 p-90 -87.51 0.33 55.72 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 119.635 -0.826 . . . . 0.0 112.021 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.94 -34.03 65.27 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.355 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -104.66 137.14 42.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.502 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 45.7 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.558 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.565 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 30.6 t -117.98 135.91 53.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.556 0.217 . . . . 0.0 111.283 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -64.88 -36.98 86.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.21 -40.22 93.18 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.702 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.07 -41.18 96.15 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.561 -0.856 . . . . 0.0 108.834 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.49 ' O ' ' OG1' ' A' ' 10' ' ' THR . 49.1 m -65.94 -37.68 86.66 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.152 177.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.17 -50.05 69.67 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.918 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.5 mtm -59.04 -41.82 88.77 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 119.205 -0.998 . . . . 0.0 109.894 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.555 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 76.6 mm-40 -67.53 -36.37 80.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.837 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 6' ' ' THR . 47.9 m -61.38 -43.95 97.99 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.37 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.97 -46.65 88.32 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.72 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.419 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 91.0 mt -60.36 -46.54 94.9 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.475 179.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 84.8 m-20 -61.08 -39.33 89.48 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.606 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.24 -48.3 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.878 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.526 ' O ' ' OG ' ' A' ' 19' ' ' SER . 64.8 m-85 -70.01 -50.22 43.59 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.015 -178.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 12' ' ' ILE . 80.1 m80 -60.71 -35.41 76.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.067 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' ASN . . . -60.41 -42.34 95.77 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.796 -178.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -89.57 -28.03 19.84 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.813 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.526 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 21.2 m -59.26 -36.5 75.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.947 0.403 . . . . 0.0 110.874 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.82 -31.25 67.51 Favored Glycine 0 CA--C 1.522 0.476 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.581 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -56.66 -38.16 71.81 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.764 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -137.1 142.78 42.32 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.259 0.552 . . . . 0.0 111.725 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.28 -146.91 42.88 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.834 177.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -83.73 133.12 34.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.424 -0.888 . . . . 0.0 111.545 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -55.59 -37.66 68.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.788 0.804 . . . . 0.0 109.884 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.604 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 m-30 -71.51 -19.26 62.21 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.087 -1.415 . . . . 0.0 112.141 -176.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -112.08 139.04 47.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.417 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 66.8 mt -105.44 132.32 51.75 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.29 -1.323 . . . . 0.0 107.86 174.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -102.18 166.11 10.77 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 46.6 mtpt -52.19 -39.79 60.62 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 118.608 -1.237 . . . . 0.0 109.238 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -63.37 -51.9 63.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.146 -0.622 . . . . 0.0 112.488 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.02 -40.97 97.5 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.634 0.73 . . . . 0.0 110.949 -175.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.38 -41.95 96.42 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.268 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.604 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 1.5 tptp -60.16 -47.67 84.96 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.541 -1.208 . . . . 0.0 111.998 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -69.99 -38.02 75.88 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.083 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.7 mt -63.89 -50.64 67.94 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 119.87 -0.732 . . . . 0.0 112.347 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 37' ' ' LEU . 10.1 mp -72.67 -44.65 61.56 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 119.449 -0.901 . . . . 0.0 111.919 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.604 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 64.6 tt0 -63.9 -42.37 97.46 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -80.82 -46.56 15.17 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.886 -0.726 . . . . 0.0 112.643 -178.384 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.564 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 73.8 mm-40 -73.41 -36.28 65.98 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 118.733 -1.187 . . . . 0.0 111.305 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.5 mt -125.39 57.18 1.33 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.979 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.5 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 20.9 m -55.54 -34.3 64.59 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.999 -0.281 . . . . 0.0 111.231 -178.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.43 -66.34 1.74 Allowed Glycine 0 CA--C 1.53 0.981 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.546 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -60.04 -43.75 95.12 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -177.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.802 ' O ' ' N ' ' A' ' 47' ' ' ALA . 3.1 mm? -88.04 -7.23 57.33 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.684 ' O ' ' N ' ' A' ' 48' ' ' GLN . 52.9 t0 -25.25 69.33 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -177.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.802 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 39.38 13.0 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.714 0.292 . . . . 0.0 111.115 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.684 ' N ' ' O ' ' A' ' 46' ' ' ASP . 91.7 mt-30 59.23 38.05 23.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 -177.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 58.96 30.29 20.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.426 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -145.66 125.77 13.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.79 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.2 -40.24 88.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -87.83 4.03 46.05 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.3 -30.93 69.8 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.577 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.86 -45.0 91.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.435 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 90.1 m-20 -62.0 -42.11 98.8 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.306 179.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.13 -39.81 93.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.424 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.0 t -66.36 -47.64 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.395 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.526 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.8 ppp? -65.83 -35.95 82.11 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.351 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -56.76 -40.82 76.51 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.541 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.67 -36.58 84.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.556 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.477 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 79.5 mt -66.53 -36.96 83.97 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.763 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.473 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 52.0 t0 -76.96 88.67 3.51 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.475 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.3 -38.76 88.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.383 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.405 ' ND2' ' HB3' ' A' ' 66' ' ' ASP . 45.1 p-10 -90.8 0.31 57.49 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -177.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.462 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 72.53 14.3 77.55 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.808 178.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.64 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.7 p30 -62.47 -33.03 74.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.64 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.3 -7.79 62.2 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -178.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.48 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 84.5 tt0 -112.5 142.51 44.98 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.8 t -105.22 131.34 54.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.364 0.602 . . . . 0.0 111.083 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 58.1 t0 -96.96 144.8 26.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.459 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.594 ' CE2' ' CG1' ' A' ' 75' ' ' VAL . 77.3 t80 -50.87 -37.78 45.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -58.95 -39.2 80.92 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.614 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.477 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -68.36 -41.38 80.73 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.75 0.786 . . . . 0.0 109.962 178.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.8 -40.91 95.99 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.594 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 27.7 m -62.4 -36.58 75.5 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.881 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.09 -44.67 99.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 C-N-CA 118.929 -1.108 . . . . 0.0 110.476 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.8 tp -67.7 -42.14 82.5 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 p -57.91 -35.19 50.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 119.769 -0.773 . . . . 0.0 110.989 -177.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.451 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.82 -39.0 87.38 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.346 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.09 -41.08 74.53 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.718 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.4 mt -64.03 -38.32 90.63 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 0.6 OUTLIER -58.0 -41.2 82.55 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.139 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.87 -41.33 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.67 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.74 -30.75 71.81 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.685 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -54.34 -39.43 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.189 -179.076 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.532 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 49.7 t-20 -58.25 -38.22 76.48 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.357 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -53.5 -38.52 63.77 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.75 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -64.03 -38.29 90.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.813 177.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.46 -46.16 89.57 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.201 0.524 . . . . 0.0 109.713 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -59.45 -34.8 72.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.07 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.31 -33.65 67.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.506 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -55.38 -36.66 66.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.494 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.643 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.66 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.564 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 30.5 t -117.99 135.98 53.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.57 0.224 . . . . 0.0 111.247 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -64.86 -37.08 86.42 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.23 -40.17 93.03 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.679 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.13 -41.24 96.37 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.484 ' O ' ' OG1' ' B' ' 10' ' ' THR . 47.6 m -65.88 -37.64 86.67 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.211 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.19 -49.99 69.86 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.967 -177.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.4 mtm -59.09 -41.78 88.89 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 119.175 -1.01 . . . . 0.0 109.871 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.557 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 76.7 mm-40 -67.59 -36.39 80.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.764 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' B' ' 6' ' ' THR . 48.1 m -61.36 -43.9 98.08 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.386 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.05 -46.64 88.24 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.659 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.407 ' O ' ' ND1' ' B' ' 16' ' ' HIS . 91.0 mt -60.32 -46.6 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.498 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.557 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 84.7 m-20 -61.02 -39.36 89.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.604 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 77.2 t -67.28 -48.24 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.897 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.519 ' O ' ' OG ' ' B' ' 19' ' ' SER . 65.2 m-85 -69.97 -50.15 44.57 Favored 'General case' 0 N--CA 1.461 0.091 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.127 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.407 ' ND1' ' O ' ' B' ' 12' ' ' ILE . 79.9 m80 -60.8 -35.48 76.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.985 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' B' ' 13' ' ' ASN . . . -60.4 -42.26 95.55 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.877 -178.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -89.58 -28.07 19.8 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.916 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.519 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 20.8 m -59.16 -36.53 75.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.379 . . . . 0.0 110.819 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.98 -31.04 67.59 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.599 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -56.71 -38.15 71.93 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.01 -0.676 . . . . 0.0 110.751 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -137.11 142.7 42.3 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.344 0.593 . . . . 0.0 111.768 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.29 -146.91 42.92 Favored Glycine 0 CA--C 1.527 0.797 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.798 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -83.71 133.17 34.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.436 -0.882 . . . . 0.0 111.583 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -55.6 -37.73 68.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.749 0.785 . . . . 0.0 109.821 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.2 m-30 -71.5 -19.23 62.22 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.195 -176.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -112.07 139.02 47.93 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.424 ' CD2' ' OG ' ' B' ' 19' ' ' SER . 66.9 mt -105.41 132.31 51.76 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 114.285 -1.325 . . . . 0.0 107.963 174.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -102.05 165.96 10.88 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.427 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 46.7 mtpt -51.98 -39.95 60.18 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 118.636 -1.226 . . . . 0.0 109.303 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -63.27 -51.96 63.97 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.104 -0.638 . . . . 0.0 112.481 178.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.98 -40.94 97.51 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.991 -175.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.42 -41.87 96.35 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.625 -1.17 . . . . 0.0 109.264 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.603 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 1.4 tptp -60.28 -47.51 85.69 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 114.591 -1.186 . . . . 0.0 112.037 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -70.03 -38.09 75.79 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.046 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 43.6 mt -63.97 -50.55 68.13 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.325 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.404 ' N ' HD12 ' B' ' 37' ' ' LEU . 10.0 mp -72.7 -44.67 61.46 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.917 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.603 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.6 tt0 -63.83 -42.39 97.63 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 0.7 OUTLIER -80.82 -46.62 15.07 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.891 -0.724 . . . . 0.0 112.58 -178.361 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.565 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 73.9 mm-40 -73.4 -36.28 66.0 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 118.762 -1.175 . . . . 0.0 111.295 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -125.43 57.32 1.33 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.942 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 20.9 m -55.64 -34.2 64.72 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.206 -178.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.54 -66.28 1.74 Allowed Glycine 0 CA--C 1.53 1.006 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.536 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -60.16 -43.58 95.66 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.81 ' O ' ' N ' ' B' ' 47' ' ' ALA . 3.1 mm? -88.18 -7.28 57.12 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.682 ' O ' ' N ' ' B' ' 48' ' ' GLN . 52.8 t0 -25.17 69.37 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -177.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.81 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . 39.31 12.98 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.713 0.292 . . . . 0.0 111.247 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.682 ' N ' ' O ' ' B' ' 46' ' ' ASP . 91.7 mt-30 59.26 38.02 23.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -177.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 58.97 30.36 20.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.661 -1.154 . . . . 0.0 109.38 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -145.8 125.76 13.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.753 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 74.9 t -65.12 -40.25 88.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -87.82 4.02 46.04 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.42 -30.78 69.84 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.56 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 78.9 t -58.87 -45.03 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.427 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 90.1 m-20 -61.89 -42.28 98.89 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.266 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.04 -39.8 93.57 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.463 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.5 t -66.48 -47.55 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.397 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.528 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.8 ppp? -65.88 -35.85 81.77 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.336 -0.546 . . . . 0.0 111.432 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -56.9 -40.7 76.75 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.577 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.62 -36.62 84.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.599 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.489 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 79.6 mt -66.6 -36.88 83.68 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.76 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.478 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 52.0 t0 -76.95 88.58 3.51 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.502 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.27 -38.69 88.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.392 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' B' ' 66' ' ' ASP . 44.8 p-10 -90.9 0.48 57.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -177.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.454 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 72.36 14.44 77.06 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.913 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.648 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.7 p30 -62.51 -33.11 74.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.648 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.35 -7.84 62.13 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -178.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.477 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 84.5 tt0 -112.5 142.38 45.13 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 42.9 t -105.18 131.41 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.463 0.649 . . . . 0.0 111.058 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 58.1 t0 -96.93 144.83 26.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.477 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.594 ' CE2' ' CG1' ' B' ' 75' ' ' VAL . 77.3 t80 -50.9 -37.88 46.45 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -58.94 -39.17 80.8 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.588 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.489 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 98.7 mt-10 -68.4 -41.34 80.62 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.712 0.768 . . . . 0.0 109.975 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.82 -40.85 95.87 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.594 ' CG1' ' CE2' ' B' ' 71' ' ' PHE . 27.5 m -62.4 -36.5 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 119.882 -0.727 . . . . 0.0 111.897 -177.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.403 ' N ' HG22 ' B' ' 75' ' ' VAL . 77.5 t -63.2 -44.68 99.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 C-N-CA 119.008 -1.077 . . . . 0.0 110.396 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.9 tp -67.71 -42.16 82.43 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.401 HG11 ' N ' ' B' ' 79' ' ' ALA . 3.6 p -57.88 -35.21 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 119.671 -0.811 . . . . 0.0 111.015 -177.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.456 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.79 -39.08 87.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.3 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.12 -40.98 74.56 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.349 -0.541 . . . . 0.0 110.701 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.7 mt -64.1 -38.28 90.48 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.565 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 0.6 OUTLIER -58.04 -41.23 82.78 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.141 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.78 -41.4 90.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.691 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.8 -30.79 71.85 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.638 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.565 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -54.26 -39.35 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.309 -179.194 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.523 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 49.6 t-20 -58.4 -38.13 76.74 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.392 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -53.45 -38.47 63.59 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 120.174 -0.611 . . . . 0.0 109.889 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -64.03 -38.23 90.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.87 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.57 -46.13 89.83 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.179 0.514 . . . . 0.0 109.69 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -59.4 -34.71 72.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.161 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.44 -33.6 68.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.515 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -55.33 -36.64 66.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.582 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.535 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.534 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 95.4 p -123.04 154.73 38.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.762 0.315 . . . . 0.0 110.515 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.78 -37.14 85.51 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.91 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.42 -39.97 89.32 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.55 -41.2 94.07 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 119.533 -0.867 . . . . 0.0 109.619 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.421 ' O ' ' OG1' ' A' ' 10' ' ' THR . 48.8 m -66.03 -39.28 90.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.557 178.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -47.66 77.45 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.1 mtm -57.2 -42.31 81.02 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 118.647 -1.221 . . . . 0.0 108.947 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -65.95 -37.75 86.82 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 113.744 -1.571 . . . . 0.0 109.479 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 6' ' ' THR . 47.5 m -61.56 -42.17 98.44 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.422 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.89 -44.12 86.51 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.617 0.723 . . . . 0.0 109.709 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.414 HG22 HD12 ' A' ' 12' ' ' ILE . 78.2 mt -67.0 -38.0 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.452 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -60.19 -41.14 92.31 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.584 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.406 HG21 ' N ' ' A' ' 15' ' ' PHE . 32.1 m -76.02 -38.56 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.513 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.553 ' CE2' ' CG ' ' A' ' 71' ' ' PHE . 2.5 t80 -62.6 -47.97 81.45 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.865 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -61.85 -45.07 95.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.361 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.45 -52.01 44.64 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.236 -0.586 . . . . 0.0 112.507 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -64.3 -46.12 84.99 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.537 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 89.9 p -61.8 -30.89 71.11 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.059 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.48 -33.97 83.65 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.261 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -58.38 -39.18 78.91 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.665 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.515 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -131.49 149.8 52.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.959 0.409 . . . . 0.0 111.397 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.74 -159.96 6.97 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.82 146.48 49.68 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.08 0.467 . . . . 0.0 110.354 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.537 ' O ' ' OG ' ' A' ' 19' ' ' SER . 62.5 mttt -58.72 -33.23 69.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.131 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.485 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 1.4 m-85 -102.59 11.41 37.83 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -175.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -130.85 135.39 47.67 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.782 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.7 mt -101.21 138.0 38.81 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 121.385 0.612 . . . . 0.0 110.865 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.4 m -102.97 161.5 13.7 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -52.57 -40.41 62.57 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.885 -1.126 . . . . 0.0 109.149 -178.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -61.24 -50.04 74.67 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.158 -0.617 . . . . 0.0 111.987 177.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.515 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.6 mt-10 -63.17 -40.43 97.51 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.304 -176.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.59 -41.23 98.84 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.631 -1.168 . . . . 0.0 109.165 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -60.79 -46.13 91.7 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.599 177.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.26 -37.3 85.16 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 119.918 -0.713 . . . . 0.0 111.439 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.78 -47.0 76.63 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 119.341 -0.944 . . . . 0.0 112.342 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.8 mt -68.23 -42.43 79.75 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.145 -1.022 . . . . 0.0 110.598 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.41 -41.86 98.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.953 -1.021 . . . . 0.0 112.938 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.7 t -85.04 -45.74 11.83 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.452 -178.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.532 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 78.4 mm-40 -72.18 -35.2 68.91 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.447 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.1 mt -121.86 41.62 3.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.378 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -53.81 -33.41 55.99 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.188 -179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.79 -63.7 1.73 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.486 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -58.59 -44.75 89.95 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -89.7 -3.12 58.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.22 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.531 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.2 t0 -25.63 115.4 0.05 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.759 0.79 . . . . 0.0 110.897 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.549 ' O ' ' O ' ' A' ' 50' ' ' ASP . . . -62.88 -27.88 69.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.36 -1.291 . . . . 0.0 113.377 -177.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -56.77 -39.75 74.6 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.587 -177.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.446 ' NZ ' ' CE1' ' A' ' 88' ' ' PHE . 45.6 mtpt -63.53 -38.47 91.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.549 ' O ' ' O ' ' A' ' 47' ' ' ALA . 87.2 m-20 -106.41 152.65 23.33 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.29 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.0 t -108.88 126.83 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 46.24 34.37 2.16 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.055 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.3 -33.5 75.66 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.046 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.4 t -58.49 -44.92 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.322 -178.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -62.4 -42.32 99.34 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.424 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -60.32 -40.0 89.04 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.254 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.2 -44.61 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.509 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.4 ppp? -67.41 -39.9 85.55 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 58' ' ' MET . 72.9 mmtt -59.7 -38.32 81.28 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 119.336 -0.946 . . . . 0.0 111.716 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.47 -39.26 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.674 -0.811 . . . . 0.0 110.472 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.509 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 81.3 mt -68.41 -35.93 78.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.159 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.416 ' C ' ' ND2' ' A' ' 64' ' ' ASN . 97.9 m-20 -91.34 33.17 0.99 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -178.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -53.14 -33.07 50.8 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.561 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.904 HD21 ' H ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -55.79 -30.38 61.24 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.875 -179.351 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.904 ' H ' HD21 ' A' ' 64' ' ' ASN . . . 93.27 6.52 62.88 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.684 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.1 p30 -61.21 -35.08 76.21 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.684 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.76 -10.26 70.6 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -121.67 154.86 36.28 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.8 t -101.24 129.7 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 119.404 -0.919 . . . . 0.0 111.623 -178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -88.94 131.58 35.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.229 -1.35 . . . . 0.0 110.05 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.553 ' CG ' ' CE2' ' A' ' 15' ' ' PHE . 78.2 t80 -51.29 -38.7 54.25 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.375 -179.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -58.17 -39.8 79.8 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.684 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.9 mt-10 -68.51 -38.62 81.09 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.178 0.513 . . . . 0.0 110.848 178.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -63.33 -42.45 98.98 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.8 m -65.51 -32.54 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.917 -178.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.8 t -63.1 -47.15 93.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 119.276 -0.97 . . . . 0.0 110.551 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' A' ' 77' ' ' LEU . 2.6 mm? -73.11 -39.57 65.68 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -56.42 -36.68 47.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.18 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.403 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.58 -39.49 88.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.105 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.42 -40.62 81.15 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.913 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.82 -40.75 97.37 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.294 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.2 t -61.21 -45.07 96.08 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 118.665 -1.214 . . . . 0.0 109.382 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.09 -39.59 84.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.318 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.58 74.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.742 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 75.2 m -55.69 -36.98 67.75 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.31 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.468 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 24.7 m120 -57.17 -34.73 68.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.01 -39.25 68.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.186 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.446 ' CE1' ' NZ ' ' A' ' 49' ' ' LYS . 67.3 t80 -59.29 -45.93 89.93 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.979 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.482 ' O ' ' OD1' ' A' ' 92' ' ' ASN . 96.1 m-85 -63.17 -37.4 87.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.654 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.468 ' CD1' ' O ' ' A' ' 86' ' ' ASN . 39.2 m0 -56.09 -33.73 65.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.689 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -56.56 -32.84 65.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.68 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.613 ' OD1' ' N ' ' A' ' 93' ' ' SER . 35.3 p-10 -56.28 -30.98 63.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.811 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.613 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 7.2 m . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.602 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.532 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 95.2 p -123.09 154.74 38.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.749 0.309 . . . . 0.0 110.578 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.84 -37.03 85.18 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.896 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.42 -40.01 89.48 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.63 -41.17 94.35 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 119.546 -0.862 . . . . 0.0 109.544 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.433 ' O ' ' OG1' ' B' ' 10' ' ' THR . 48.9 m -65.99 -39.3 90.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.557 178.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.67 -47.71 77.44 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.0 mtm -57.17 -42.33 80.91 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 118.625 -1.23 . . . . 0.0 108.984 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -65.98 -37.7 86.65 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 113.638 -1.619 . . . . 0.0 109.48 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' B' ' 6' ' ' THR . 47.0 m -61.5 -42.2 98.44 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.419 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.96 -44.01 86.77 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.675 0.75 . . . . 0.0 109.714 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.466 HD12 HG22 ' B' ' 12' ' ' ILE . 78.4 mt -67.05 -38.0 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.41 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -60.21 -41.19 92.52 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.565 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.411 HG21 ' N ' ' B' ' 15' ' ' PHE . 32.2 m -75.92 -38.59 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 C-N-CA 119.924 -0.711 . . . . 0.0 110.557 179.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.558 ' CE2' ' CG ' ' B' ' 71' ' ' PHE . 2.6 t80 -62.56 -48.03 81.26 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.887 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -61.78 -45.08 95.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.399 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.42 -52.08 44.02 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.241 -0.584 . . . . 0.0 112.431 -178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -64.24 -46.19 84.89 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.525 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 89.6 p -61.83 -30.9 71.14 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.024 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.43 -34.12 84.02 Favored Glycine 0 CA--C 1.526 0.727 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.27 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -58.2 -39.26 78.52 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.706 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.508 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.8 mm-40 -131.49 149.8 52.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.957 0.408 . . . . 0.0 111.367 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.7 -159.95 6.91 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.79 146.55 49.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.07 0.462 . . . . 0.0 110.355 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.525 ' O ' ' OG ' ' B' ' 19' ' ' SER . 62.5 mttt -58.77 -33.33 70.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.093 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.429 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 1.4 m-85 -102.49 11.37 38.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -175.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -130.91 135.41 47.65 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.693 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.7 mt -101.21 137.94 38.9 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.389 0.614 . . . . 0.0 110.894 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 54.7 m -102.91 161.54 13.67 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -52.55 -40.44 62.55 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.187 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -61.31 -49.99 74.76 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.982 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.508 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.6 mt-10 -63.14 -40.51 97.79 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.249 -176.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.51 -41.17 98.65 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.259 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -60.81 -46.11 91.82 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.628 177.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.32 -37.21 84.86 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 119.826 -0.75 . . . . 0.0 111.472 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.96 -46.75 76.97 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 119.201 -1.0 . . . . 0.0 112.381 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 64.4 mt -68.26 -42.45 79.58 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 119.107 -1.037 . . . . 0.0 110.605 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.37 -41.94 98.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.892 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.7 t -84.93 -45.81 11.86 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.141 -0.624 . . . . 0.0 112.465 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.534 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 78.3 mm-40 -72.22 -35.1 68.78 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.296 -0.562 . . . . 0.0 111.454 -178.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 76.4 mt -121.8 41.53 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.403 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -53.94 -33.31 56.42 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.193 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.82 -63.73 1.73 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.46 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -58.5 -44.74 89.56 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -89.84 -3.06 58.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.098 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.533 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.2 t0 -25.63 115.45 0.05 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.723 0.773 . . . . 0.0 110.855 -177.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.565 ' O ' ' O ' ' B' ' 50' ' ' ASP . . . -62.92 -27.88 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.365 -1.288 . . . . 0.0 113.44 -177.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -56.76 -39.76 74.61 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.374 -0.93 . . . . 0.0 111.592 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.452 ' NZ ' ' CE1' ' B' ' 88' ' ' PHE . 45.6 mtpt -63.6 -38.28 90.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.565 ' O ' ' O ' ' B' ' 47' ' ' ALA . 87.3 m-20 -106.65 152.68 23.44 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.268 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.9 t -108.78 126.78 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 46.18 34.44 2.14 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.071 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.28 -33.49 75.62 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.143 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.7 t -58.49 -44.91 90.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.362 -178.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.31 -42.39 99.32 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.441 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -60.34 -39.94 88.92 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.895 -0.722 . . . . 0.0 110.227 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.6 t -67.27 -44.61 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.515 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.4 ppp? -67.43 -39.85 85.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' B' ' 58' ' ' MET . 72.9 mmtt -59.73 -38.26 81.23 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.282 -0.967 . . . . 0.0 111.748 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.49 -39.31 93.56 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.403 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.508 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 81.3 mt -68.27 -35.98 78.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.157 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.421 ' HA ' HD22 ' B' ' 64' ' ' ASN . 97.9 m-20 -91.46 33.31 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -53.21 -33.01 50.98 Favored 'General case' 0 CA--C 1.503 -0.838 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.574 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.891 HD21 ' H ' ' B' ' 65' ' ' GLY . 0.0 OUTLIER -55.83 -30.34 61.27 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.884 -179.4 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.891 ' H ' HD21 ' B' ' 64' ' ' ASN . . . 93.28 6.46 62.9 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.676 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.1 p30 -61.09 -35.06 75.97 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.676 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.7 -10.38 70.68 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -121.63 155.0 36.04 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.0 t -101.38 129.74 52.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 119.351 -0.94 . . . . 0.0 111.55 -178.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -88.9 131.59 35.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.207 -1.36 . . . . 0.0 110.087 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.558 ' CG ' ' CE2' ' B' ' 15' ' ' PHE . 78.2 t80 -51.23 -38.77 54.38 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.384 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -58.18 -39.77 79.78 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.691 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.508 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 99.0 mt-10 -68.49 -38.64 81.18 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.174 0.511 . . . . 0.0 110.803 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -63.3 -42.49 99.04 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 32.8 m -65.5 -32.57 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.915 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.01 -47.23 93.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 119.382 -0.927 . . . . 0.0 110.538 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' B' ' 77' ' ' LEU . 2.5 mm? -73.14 -39.51 65.65 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -56.45 -36.66 48.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 C-N-CA 119.164 -1.014 . . . . 0.0 111.152 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.411 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.68 -39.34 88.07 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.137 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.71 81.28 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.936 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.9 mt -63.66 -40.87 97.92 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.411 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.2 t -61.22 -45.05 96.17 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 118.607 -1.237 . . . . 0.0 109.33 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.07 -39.54 84.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.302 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.83 -33.49 74.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.786 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 75.4 m -55.76 -36.87 67.79 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.36 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.463 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 24.7 m120 -57.31 -34.64 68.93 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -55.02 -39.19 68.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.212 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.452 ' CE1' ' NZ ' ' B' ' 49' ' ' LYS . 67.3 t80 -59.3 -46.01 89.71 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.952 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.486 ' O ' ' OD1' ' B' ' 92' ' ' ASN . 96.1 m-85 -63.14 -37.4 87.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.614 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.463 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 39.2 m0 -56.11 -33.62 65.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.802 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -56.58 -32.9 65.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.649 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.612 ' OD1' ' N ' ' B' ' 93' ' ' SER . 35.3 p-10 -56.22 -30.94 63.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.897 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.612 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 7.1 m . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.612 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -119.75 149.03 42.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.952 0.406 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.42 -34.33 75.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.763 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.459 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 41.2 tp -57.85 -41.15 81.8 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.68 -40.85 93.68 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.48 -0.888 . . . . 0.0 108.978 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' A' ' 10' ' ' THR . 48.8 m -65.51 -37.62 87.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.115 177.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.13 73.85 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.85 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.1 mtm -59.17 -40.92 87.17 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 118.711 -1.196 . . . . 0.0 109.777 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.581 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.9 mt-10 -67.15 -37.41 83.74 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.826 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 6' ' ' THR . 46.7 m -62.2 -43.67 98.31 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.72 -44.57 96.66 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.425 ' CD1' HD22 ' B' ' 86' ' ' ASN . 78.6 mt -65.66 -43.61 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.073 179.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.581 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 85.4 m-20 -60.39 -40.14 89.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.1 t -66.54 -42.84 90.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 121.508 0.67 . . . . 0.0 109.684 178.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.452 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 4.6 t80 -62.07 -51.81 66.46 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.592 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.51 -38.2 89.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.654 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.3 95.89 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.588 ' HD1' ' CD2' ' A' ' 36' ' ' LEU . 63.9 m170 -99.5 -28.29 13.31 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.491 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 23.3 t -58.47 -37.82 76.27 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.274 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.73 -28.45 65.58 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-N 115.879 -0.6 . . . . 0.0 113.154 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -56.7 -40.26 75.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.434 0.617 . . . . 0.0 112.161 -177.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.526 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.7 mm-40 -140.53 138.91 34.9 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.077 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.0 -163.81 53.83 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -72.74 144.33 47.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.75 0.309 . . . . 0.0 110.369 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' OG ' ' A' ' 19' ' ' SER . 86.5 mttt -59.42 -38.4 80.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 122.363 1.078 . . . . 0.0 108.782 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.505 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 69.5 m-85 -69.53 -25.37 63.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 112.965 -1.925 . . . . 0.0 113.208 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CB ' ' OE2' ' A' ' 68' ' ' GLU . 16.0 mmtm -114.04 141.98 46.76 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.1 mt -100.47 139.72 35.76 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.903 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.7 t -100.54 156.16 17.44 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -50.77 -38.92 50.8 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.195 -1.002 . . . . 0.0 108.835 -178.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -61.66 -51.58 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.108 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.526 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.9 mt-10 -65.01 -40.95 95.63 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.452 -176.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.19 -42.87 96.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.498 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.597 ' HZ3' ' NE2' ' A' ' 38' ' ' GLN . 9.6 tptp -60.87 -46.69 89.6 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.198 178.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.84 -37.54 82.02 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.556 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.588 ' CD2' ' HD1' ' A' ' 18' ' ' HIS . 19.0 mt -64.79 -47.99 76.07 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 119.417 -0.913 . . . . 0.0 112.067 178.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.438 HD11 ' N ' ' A' ' 37' ' ' LEU . 7.0 mp -71.69 -47.41 54.28 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.407 -0.917 . . . . 0.0 111.852 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.597 ' NE2' ' HZ3' ' A' ' 34' ' ' LYS . 51.6 tt0 -63.2 -41.98 99.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.656 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.431 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -81.44 -45.5 15.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.876 -0.73 . . . . 0.0 112.749 -178.684 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' OE1' ' CD2' ' B' ' 4' ' ' LEU . 95.6 mt-10 -71.87 -35.51 69.8 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 119.18 -1.008 . . . . 0.0 111.785 -178.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -125.23 61.48 1.2 Allowed 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.825 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 m -55.02 -32.74 62.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.239 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.71 -69.87 1.36 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.489 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -57.77 -41.74 82.61 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.497 ' O ' ' C ' ' A' ' 46' ' ' ASP . 3.6 mp -92.06 -3.08 56.23 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.7 t0 -26.3 97.48 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.278 0.561 . . . . 0.0 111.616 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' ASP . . . -65.28 -21.77 66.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.974 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -50.98 -36.63 40.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.362 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.5 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 73.8 mmtt -58.03 -37.41 74.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 89.9 m-20 -140.55 98.57 3.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.943 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.1 t -62.37 -40.9 89.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.439 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 49.0 p30 -89.14 5.36 44.98 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.15 -32.26 73.61 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.986 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.9 -45.05 95.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.436 -178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -62.09 -42.21 98.98 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.606 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -62.3 -39.93 94.61 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.033 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.8 t -66.39 -45.9 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.103 -179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.445 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 2.6 ppp? -66.95 -36.25 81.8 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.343 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 58' ' ' MET . 81.6 tttt -58.61 -41.49 85.99 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.393 -178.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.15 -39.04 92.45 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.029 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.6 mt -68.12 -35.74 78.62 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 120.971 0.415 . . . . 0.0 110.819 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -91.43 32.17 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.976 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.99 -29.87 44.84 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.409 176.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.516 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 13.1 m120 -51.75 -32.95 32.78 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.48 -1.236 . . . . 0.0 109.404 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.07 1.81 61.12 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.7 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.0 p30 -61.64 -35.98 79.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.765 -0.718 . . . . 0.0 111.531 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.7 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 90.01 -6.65 82.63 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.465 ' OE2' ' CB ' ' A' ' 27' ' ' LYS . 79.8 tt0 -122.77 148.32 45.49 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.75 128.67 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 119.804 -0.758 . . . . 0.0 110.665 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -87.36 134.22 33.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.475 -1.238 . . . . 0.0 110.666 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.452 ' CD1' ' CE2' ' A' ' 15' ' ' PHE . 88.6 t80 -50.45 -39.17 46.97 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.914 -0.714 . . . . 0.0 110.296 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -55.98 -41.0 74.11 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.519 -0.873 . . . . 0.0 109.543 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.516 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.4 mt-10 -68.11 -39.74 82.71 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.093 0.473 . . . . 0.0 110.8 178.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 78' ' ' VAL . 85.8 t80 -65.27 -43.37 91.48 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.5 p -56.68 -36.41 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.749 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.3 t -66.71 -41.39 87.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.056 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 tp -61.3 -42.48 98.72 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.355 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.446 ' CG1' ' CZ ' ' A' ' 74' ' ' TYR . 23.0 m -71.55 -33.68 50.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 119.203 -0.999 . . . . 0.0 110.544 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.85 93.13 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.684 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.52 76.48 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.1 tp -60.7 -38.63 85.65 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.67 -178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.6 p -58.17 -40.19 80.83 Favored 'General case' 0 CA--C 1.501 -0.927 0 C-N-CA 119.547 -0.861 . . . . 0.0 109.018 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.1 t -63.84 -41.08 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.293 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.129 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.48 -34.16 77.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.58 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -34.36 73.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.961 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.492 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 24.5 m120 -56.08 -34.12 65.67 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.492 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.46 ' HA ' ' NE1' ' A' ' 90' ' ' TRP . 20.5 t-20 -53.98 -41.85 68.35 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -63.69 -43.74 95.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.825 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -60.04 -49.65 76.84 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.492 ' CD1' ' O ' ' A' ' 86' ' ' ASN . 70.2 p-90 -87.57 1.05 54.68 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.979 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.3 -33.51 63.34 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.283 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -54.84 -37.26 65.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.569 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.683 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -119.86 149.05 42.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.91 0.386 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.36 -34.43 75.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.775 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.455 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 41.2 tp -57.81 -41.07 81.44 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.71 -40.84 93.77 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.008 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' B' ' 10' ' ' THR . 49.8 m -65.61 -37.46 86.67 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.122 177.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.08 -49.05 73.8 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.836 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 56.2 mtm -59.17 -40.96 87.26 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 118.711 -1.196 . . . . 0.0 109.759 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.583 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.8 mt-10 -67.14 -37.37 83.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.837 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' B' ' 6' ' ' THR . 47.3 m -62.22 -43.68 98.28 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.76 -44.53 96.71 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.441 HD11 HG22 ' B' ' 12' ' ' ILE . 78.6 mt -65.65 -43.62 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.026 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.583 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 85.5 m-20 -60.43 -40.14 89.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 70.7 t -66.56 -42.84 90.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.472 0.654 . . . . 0.0 109.672 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.446 ' CE2' ' CD1' ' B' ' 71' ' ' PHE . 4.6 t80 -62.11 -51.78 66.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.606 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.45 -38.2 88.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.701 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.26 95.96 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -176.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.587 ' HD1' ' CD2' ' B' ' 36' ' ' LEU . 63.7 m170 -99.49 -28.37 13.28 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.491 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.3 t -58.46 -37.8 76.21 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.256 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.75 -28.44 65.61 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-N 115.893 -0.594 . . . . 0.0 113.122 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -56.69 -40.27 75.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 117.454 0.627 . . . . 0.0 112.119 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.538 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.7 mm-40 -140.54 138.92 34.89 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.226 -0.589 . . . . 0.0 111.06 178.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.01 -163.77 53.85 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.83 144.31 47.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.766 0.317 . . . . 0.0 110.355 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.491 ' O ' ' OG ' ' B' ' 19' ' ' SER . 86.4 mttt -59.36 -38.37 80.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 122.421 1.105 . . . . 0.0 108.822 179.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.512 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 69.3 m-85 -69.57 -25.47 64.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 112.927 -1.942 . . . . 0.0 113.108 -177.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.467 ' CB ' ' OE2' ' B' ' 68' ' ' GLU . 16.1 mmtm -114.02 141.98 46.75 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.4 mt -100.44 139.75 35.67 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.946 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.7 t -100.58 156.18 17.45 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -50.85 -38.89 51.91 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.145 -1.022 . . . . 0.0 108.812 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -61.65 -51.59 67.85 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 119.915 -0.714 . . . . 0.0 112.139 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.538 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.9 mt-10 -64.95 -41.05 95.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.411 -176.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.18 -42.82 96.52 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.553 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.598 ' HZ3' ' NE2' ' B' ' 38' ' ' GLN . 9.6 tptp -60.9 -46.67 89.7 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 114.552 -1.204 . . . . 0.0 112.209 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.83 -37.51 82.0 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.613 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.587 ' CD2' ' HD1' ' B' ' 18' ' ' HIS . 19.0 mt -64.86 -47.94 76.1 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 119.402 -0.919 . . . . 0.0 112.08 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.437 HD11 ' N ' ' B' ' 37' ' ' LEU . 7.0 mp -71.7 -47.38 54.46 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.369 -0.932 . . . . 0.0 111.888 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.598 ' NE2' ' HZ3' ' B' ' 34' ' ' LYS . 51.6 tt0 -63.18 -42.08 99.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.637 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 0.7 OUTLIER -81.25 -45.64 15.98 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.906 -0.718 . . . . 0.0 112.774 -178.674 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.459 ' OE1' ' CD2' ' A' ' 4' ' ' LEU . 95.7 mt-10 -71.88 -35.5 69.78 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 119.138 -1.025 . . . . 0.0 111.747 -178.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -125.24 61.51 1.2 Allowed 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.878 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.9 m -55.01 -32.71 62.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.25 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.76 -69.87 1.36 Allowed Glycine 0 CA--C 1.531 1.088 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.415 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -57.86 -41.6 82.77 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.499 ' O ' ' C ' ' B' ' 46' ' ' ASP . 3.6 mp -92.19 -3.06 56.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.7 t0 -26.24 97.46 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.351 0.596 . . . . 0.0 111.627 -178.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' B' ' 50' ' ' ASP . . . -65.29 -21.77 66.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.051 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -50.94 -36.67 39.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.347 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.507 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 73.8 mmtt -58.01 -37.44 74.29 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.507 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 89.9 m-20 -140.56 98.57 3.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.857 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.32 -40.95 89.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' B' ' 52' ' ' ASP . 48.9 p30 -89.08 5.26 45.3 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.04 -32.36 73.71 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.995 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.94 -44.96 95.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.421 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -62.09 -42.3 99.07 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.166 -0.613 . . . . 0.0 110.547 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -62.28 -39.89 94.42 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.082 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.6 t -66.41 -45.88 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.111 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.438 ' HG3' ' N ' ' B' ' 59' ' ' LYS . 2.6 ppp? -66.96 -36.16 81.59 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.36 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' B' ' 58' ' ' MET . 81.6 tttt -58.66 -41.51 86.27 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.431 -179.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.12 -39.03 92.5 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.063 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 46.8 mt -68.08 -35.79 78.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.929 0.395 . . . . 0.0 110.839 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -91.42 32.23 1.08 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.012 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.02 -29.87 45.25 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.392 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.513 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 13.2 m120 -51.8 -32.91 33.22 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.38 -177.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.04 1.82 61.15 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 108.755 -1.738 . . . . 0.0 108.755 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.695 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.1 p30 -61.65 -35.98 79.51 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.784 -0.708 . . . . 0.0 111.478 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.695 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 89.97 -6.67 82.65 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.467 ' OE2' ' CB ' ' B' ' 27' ' ' LYS . 79.9 tt0 -122.77 148.26 45.56 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.4 t -100.72 128.69 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.707 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -87.39 134.23 33.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.676 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.446 ' CD1' ' CE2' ' B' ' 15' ' ' PHE . 88.7 t80 -50.45 -39.23 47.14 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.941 -0.703 . . . . 0.0 110.282 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -55.9 -41.03 73.9 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.542 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.513 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.4 mt-10 -68.1 -39.78 82.74 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.068 0.461 . . . . 0.0 110.764 178.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.444 ' CZ ' ' CG1' ' B' ' 78' ' ' VAL . 85.9 t80 -65.25 -43.41 91.44 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -179.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 5.5 p -56.6 -36.5 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.709 -178.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 70.8 t -66.61 -41.5 88.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.124 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.29 -42.44 98.64 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.391 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.444 ' CG1' ' CZ ' ' B' ' 74' ' ' TYR . 23.1 m -71.52 -33.65 50.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.6 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.86 93.06 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.688 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.17 -34.52 76.46 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 26.1 tp -60.69 -38.57 85.42 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.718 -178.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.6 p -58.2 -40.2 80.98 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 119.564 -0.854 . . . . 0.0 109.013 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.88 -40.96 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.106 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.58 -34.12 77.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.537 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -34.31 73.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.955 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.485 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 24.6 m120 -56.08 -34.07 65.64 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.519 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.462 ' HA ' ' NE1' ' B' ' 90' ' ' TRP . 20.5 t-20 -53.97 -41.91 68.38 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.533 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -63.69 -43.69 95.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.844 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.14 -49.62 76.9 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -177.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.485 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 70.3 p-90 -87.5 0.93 54.84 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.662 -0.815 . . . . 0.0 112.0 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.19 -33.55 63.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.337 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -54.81 -37.31 65.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.55 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.578 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.703 0.287 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -62.1 -35.61 79.24 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.686 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.532 HD22 ' OE1' ' B' ' 40' ' ' GLU . 33.5 tp -58.67 -39.37 80.48 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.794 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.4 -40.63 87.23 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 119.709 -0.796 . . . . 0.0 109.117 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.0 m -65.29 -39.11 92.11 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.181 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.53 93.39 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.682 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.445 ' SD ' HD21 ' B' ' 41' ' ' LEU . 54.3 mtm -57.99 -40.3 80.37 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 118.573 -1.251 . . . . 0.0 108.375 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 97.7 mt-10 -66.7 -36.16 81.85 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.234 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.2 m -61.11 -43.41 98.93 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.364 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.37 -45.61 92.89 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.46 0.648 . . . . 0.0 111.07 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.7 mt -68.14 -41.41 84.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.973 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 21.9 m120 -60.1 -40.57 90.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.472 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 m -74.9 -38.02 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.619 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CE2' ' O ' ' A' ' 25' ' ' LYS . 90.5 t80 -60.29 -45.31 93.81 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.195 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.92 -44.32 91.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.467 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.04 -51.65 36.78 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.826 ' CB ' HD21 ' A' ' 36' ' ' LEU . 39.9 m80 -65.47 -48.42 72.74 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.3 m -59.55 -34.97 73.35 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.44 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.34 -27.35 60.47 Favored Glycine 0 CA--C 1.524 0.595 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.656 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -55.76 -38.94 70.53 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 119.996 -0.681 . . . . 0.0 110.887 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.487 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 94.5 mt-10 -140.06 142.83 36.14 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.378 0.609 . . . . 0.0 111.911 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.81 -148.24 45.57 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.437 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -83.51 133.24 34.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.53 -0.835 . . . . 0.0 111.28 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.582 ' O ' ' CE2' ' A' ' 15' ' ' PHE . 67.6 mttm -56.28 -38.86 71.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.738 0.78 . . . . 0.0 109.363 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 3.2 m-30 -71.56 -19.33 62.17 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.875 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.598 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 39.2 tptt -112.29 134.18 53.98 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.456 HD23 ' HB2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -101.83 130.63 48.32 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.755 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.8 p -100.52 160.01 14.69 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -56.4 -40.65 75.0 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.215 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.84 -49.15 78.64 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 119.073 -1.051 . . . . 0.0 110.589 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.487 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 98.4 mt-10 -62.61 -38.38 89.95 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.435 -177.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.29 -44.91 95.44 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.221 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.564 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 4.9 tptp -60.31 -42.28 95.22 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.812 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' HG22 ' A' ' 39' ' ' THR . 78.3 mm-40 -70.26 -38.88 75.21 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.384 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.826 HD21 ' CB ' ' A' ' 18' ' ' HIS . 93.6 mt -66.36 -48.15 71.12 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.53 -0.868 . . . . 0.0 112.006 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.419 ' HB3' HD23 ' A' ' 45' ' ' LEU . 62.7 mt -68.85 -44.07 74.12 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 118.94 -1.104 . . . . 0.0 110.792 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.564 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.3 tt0 -64.38 -42.24 96.25 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.486 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.4 t -83.46 -46.62 12.28 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.419 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.661 ' C ' HD12 ' A' ' 41' ' ' LEU . 96.5 mt-10 -73.16 -34.23 65.92 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 119.771 -0.772 . . . . 0.0 111.637 -178.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.661 HD12 ' C ' ' A' ' 40' ' ' GLU . 7.7 mp -123.23 48.16 1.87 Allowed 'General case' 0 C--O 1.236 0.392 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.613 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.8 m -54.29 -33.72 59.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.898 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.77 -65.88 1.53 Allowed Glycine 0 CA--C 1.531 1.085 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.461 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -58.45 -43.56 88.87 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.677 ' O ' ' N ' ' A' ' 47' ' ' ALA . 8.8 mp -96.36 -1.33 47.94 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.542 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 56.0 p30 -18.92 76.56 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.977 0.894 . . . . 0.0 112.668 -177.265 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -65.44 -20.15 66.24 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.474 -1.239 . . . . 0.0 111.347 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -54.3 -35.94 63.17 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.149 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.506 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 13.4 mtpp -59.54 -35.52 74.36 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.81 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.8 m-20 -140.08 91.32 2.45 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.658 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.51 -39.5 83.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.035 0.445 . . . . 0.0 110.553 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -55.89 -33.14 64.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.88 -28.88 64.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.089 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.71 -44.18 80.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.54 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 58' ' ' MET . 90.2 m-20 -61.63 -40.79 96.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.492 0.663 . . . . 0.0 110.196 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -60.74 -39.94 90.53 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.033 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.9 t -67.29 -44.92 87.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.077 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.532 ' SD ' ' C ' ' A' ' 58' ' ' MET . 1.8 ppp? -62.99 -37.14 85.97 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 58' ' ' MET . 49.0 tptt -57.74 -41.47 81.95 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.239 -178.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.99 -37.13 85.15 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.574 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.714 HD21 HD22 ' A' ' 77' ' ' LEU . 82.8 mt -67.02 -37.95 85.06 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.493 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 39.8 t0 -78.32 86.12 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.135 -1.026 . . . . 0.0 112.138 -178.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -66.68 -38.85 87.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.881 0.848 . . . . 0.0 109.323 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -59.08 -36.93 75.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.048 -1.433 . . . . 0.0 112.064 -178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.6 4.07 70.7 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 108.255 -1.938 . . . . 0.0 108.255 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.664 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.8 p30 -62.17 -33.11 73.89 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 114.228 -0.986 . . . . 0.0 112.48 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.664 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.83 -5.17 59.66 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 82.8 tt0 -117.33 145.29 44.12 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.9 t -104.72 134.47 46.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.53 0.681 . . . . 0.0 112.8 -176.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.598 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 82.0 m-20 -99.62 152.27 20.24 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.985 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.512 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 77.6 t80 -54.84 -39.59 68.73 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.043 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.422 ' O ' HG22 ' A' ' 75' ' ' VAL . 63.2 tt0 -56.29 -40.59 74.55 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.199 -0.601 . . . . 0.0 109.88 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.67 -40.22 84.44 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.414 0.626 . . . . 0.0 110.237 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -63.67 -42.51 98.03 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 78' ' ' VAL . 29.9 m -63.83 -36.29 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.009 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.0 t -63.44 -45.37 98.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 119.113 -1.035 . . . . 0.0 110.575 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.714 HD22 HD21 ' A' ' 61' ' ' LEU . 26.7 tp -67.82 -40.84 83.75 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.6 p -57.43 -35.46 49.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.401 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' B' ' 75' ' ' VAL . . . -60.53 -38.73 85.38 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.818 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.67 -41.43 75.51 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.84 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.617 HD13 HD21 ' A' ' 45' ' ' LEU . 73.1 mt -63.31 -39.01 93.38 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -59.38 -42.93 92.82 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 118.746 -1.181 . . . . 0.0 109.779 -179.46 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.91 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.875 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.71 -31.62 72.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.051 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -57.15 -35.7 69.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.407 -179.847 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.444 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 86.3 m-20 -56.64 -34.46 67.32 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.712 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 . . . . . 0 C--N 1.331 -0.236 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.084 -179.684 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.9 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.666 0.269 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -62.05 -35.52 78.86 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.773 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.533 HD22 ' OE1' ' A' ' 40' ' ' GLU . 33.8 tp -58.76 -39.31 80.6 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.806 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.44 -40.57 87.21 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 119.691 -0.803 . . . . 0.0 109.183 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -65.23 -39.21 92.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.165 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.46 93.56 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.725 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.44 ' SD ' HD21 ' A' ' 41' ' ' LEU . 54.3 mtm -57.85 -40.41 80.07 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 118.596 -1.242 . . . . 0.0 108.443 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 97.7 mt-10 -66.63 -36.25 82.12 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.204 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.8 m -60.99 -43.53 98.73 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.353 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.27 -45.76 92.18 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.527 0.68 . . . . 0.0 111.016 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.04 -41.35 84.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.086 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 21.9 m120 -60.14 -40.56 90.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.431 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 m -74.96 -38.0 42.42 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.574 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' B' ' 25' ' ' LYS . 90.3 t80 -60.24 -45.28 93.81 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.97 -44.25 91.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.49 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.09 -51.6 37.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.821 ' CB ' HD21 ' B' ' 36' ' ' LEU . 39.9 m80 -65.45 -48.5 72.49 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.9 m -59.51 -35.0 73.33 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.44 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.32 -27.35 60.4 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.651 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -55.71 -39.05 70.54 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.894 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.482 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 94.6 mt-10 -139.94 142.88 36.37 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.904 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.76 -148.18 45.49 Favored Glycine 0 CA--C 1.524 0.618 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.374 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -83.57 133.19 34.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.484 -0.858 . . . . 0.0 111.26 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.585 ' O ' ' CE2' ' B' ' 15' ' ' PHE . 67.6 mttm -56.17 -38.93 71.57 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.829 0.823 . . . . 0.0 109.376 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.597 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 3.2 m-30 -71.51 -19.37 62.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 113.947 -1.479 . . . . 0.0 111.908 -176.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.606 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 39.1 tptt -112.25 134.08 54.0 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' B' ' 32' ' ' GLU . 0.6 OUTLIER -101.83 130.58 48.31 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -178.758 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 82.7 p -100.44 160.06 14.64 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -56.45 -40.68 75.22 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.196 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.79 -49.19 78.47 Favored 'General case' 0 CA--C 1.507 -0.677 0 C-N-CA 119.071 -1.052 . . . . 0.0 110.639 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.482 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 98.4 mt-10 -62.64 -38.21 89.37 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.466 -177.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 65.4 tp -62.3 -44.93 95.39 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.549 0.69 . . . . 0.0 111.287 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.592 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 4.9 tptp -60.32 -42.26 95.25 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.808 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.433 ' O ' HG22 ' B' ' 39' ' ' THR . 78.3 mm-40 -70.25 -38.9 75.25 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.408 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.821 HD21 ' CB ' ' B' ' 18' ' ' HIS . 93.7 mt -66.38 -48.13 71.15 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 119.468 -0.893 . . . . 0.0 111.999 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.433 ' HB3' HD23 ' B' ' 45' ' ' LEU . 63.2 mt -68.8 -44.09 74.29 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.01 -1.076 . . . . 0.0 110.761 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.592 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.4 tt0 -64.43 -42.22 96.14 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.4 t -83.51 -46.59 12.28 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.417 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.658 ' C ' HD12 ' B' ' 41' ' ' LEU . 96.5 mt-10 -73.18 -34.22 65.88 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.657 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.658 HD12 ' C ' ' B' ' 40' ' ' GLU . 7.7 mp -123.29 48.26 1.86 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.666 0.27 . . . . 0.0 110.619 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 19.9 m -54.5 -33.51 59.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.901 -178.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.8 -65.83 1.53 Allowed Glycine 0 CA--C 1.53 1.011 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.53 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -58.44 -43.63 88.85 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.675 ' O ' ' N ' ' B' ' 47' ' ' ALA . 8.8 mp -96.36 -1.38 47.83 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.54 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 56.2 p30 -18.9 76.67 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.95 0.881 . . . . 0.0 112.611 -177.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.675 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -65.55 -20.03 66.16 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-N 114.424 -1.262 . . . . 0.0 111.413 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -54.34 -35.93 63.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.093 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.503 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 13.4 mtpp -59.55 -35.46 74.28 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.822 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.503 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 91.7 m-20 -140.18 91.39 2.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.651 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.64 -39.53 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.05 0.453 . . . . 0.0 110.499 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -55.71 -33.28 64.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.91 -28.8 64.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.133 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.75 -44.09 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.628 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' B' ' 58' ' ' MET . 90.0 m-20 -61.76 -40.64 95.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.497 0.665 . . . . 0.0 110.275 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -60.77 -39.88 90.47 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.053 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.39 -44.84 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.028 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.537 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -63.0 -37.24 86.4 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.46 ' N ' ' HG3' ' B' ' 58' ' ' MET . 49.0 tptt -57.71 -41.45 81.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.262 -178.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.92 -37.15 85.31 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.656 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.701 HD21 HD22 ' B' ' 77' ' ' LEU . 82.6 mt -67.07 -37.91 84.84 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.474 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 39.9 t0 -78.31 86.12 4.41 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.167 -1.013 . . . . 0.0 112.137 -178.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -66.68 -38.85 87.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.85 0.833 . . . . 0.0 109.274 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -59.14 -36.93 76.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.059 -1.428 . . . . 0.0 112.116 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.62 4.12 70.59 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 108.193 -1.963 . . . . 0.0 108.193 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.659 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.0 p30 -62.27 -33.03 73.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 114.337 -0.932 . . . . 0.0 112.472 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.659 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.85 -5.21 59.64 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.419 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 82.6 tt0 -117.28 145.29 44.06 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.2 t -104.76 134.51 45.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.51 0.671 . . . . 0.0 112.803 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.606 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 81.9 m-20 -99.62 152.32 20.19 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.931 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.508 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 77.9 t80 -54.83 -39.66 68.79 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.072 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.421 ' O ' HG22 ' B' ' 75' ' ' VAL . 63.2 tt0 -56.23 -40.66 74.46 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.875 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.64 -40.26 84.57 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.429 0.633 . . . . 0.0 110.238 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -63.68 -42.41 98.04 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.495 ' O ' HG12 ' B' ' 78' ' ' VAL . 30.3 m -63.9 -36.3 76.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.433 -0.507 . . . . 0.0 112.019 -177.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.1 t -63.5 -45.28 98.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 C-N-CA 119.138 -1.025 . . . . 0.0 110.561 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.701 HD22 HD21 ' B' ' 61' ' ' LEU . 27.0 tp -67.92 -40.9 83.31 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.495 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.5 p -57.38 -35.51 49.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.459 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' A' ' 75' ' ' VAL . . . -60.45 -38.76 85.19 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.475 -0.49 . . . . 0.0 109.868 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.55 -41.49 75.83 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.888 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.615 HD13 HD21 ' B' ' 45' ' ' LEU . 73.1 mt -63.37 -39.03 93.41 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.561 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.0 OUTLIER -59.29 -42.99 92.57 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 118.782 -1.167 . . . . 0.0 109.797 -179.539 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 93.6 t -64.01 -40.44 89.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.829 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.82 -31.52 72.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.037 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -57.13 -35.77 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.462 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.439 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 86.0 m-20 -56.49 -34.59 67.08 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.739 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 N--CA 1.454 -0.231 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.062 -179.603 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.462 0.138 0 CA-C-O 120.561 0.219 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -64.59 -38.39 90.84 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.528 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.9 -40.03 94.05 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.905 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.58 -40.63 95.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.5 m -64.84 -37.96 89.38 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.636 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.53 -49.25 72.0 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.593 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.4 mtm -59.41 -41.03 88.52 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.496 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.436 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 97.9 mt-10 -66.98 -37.49 84.33 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.971 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.3 m -62.06 -45.17 94.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.76 -47.47 86.16 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 119.626 -0.829 . . . . 0.0 110.74 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.408 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 86.7 mt -60.96 -42.79 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.42 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.578 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 24.2 m120 -61.96 -39.79 93.33 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.509 -0.477 . . . . 0.0 111.857 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -69.36 -51.19 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.988 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.495 ' HD1' HD13 ' A' ' 36' ' ' LEU . 81.3 m-85 -68.46 -44.99 73.64 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.7 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.408 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 39.5 t-80 -61.31 -39.7 91.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.063 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 13' ' ' ASN . . . -61.08 -42.3 98.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.732 -177.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.754 ' HB2' HD21 ' A' ' 36' ' ' LEU . 98.3 m-70 -88.1 -26.99 22.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.544 ' OG ' HD21 ' A' ' 28' ' ' LEU . 19.3 m -57.96 -37.0 73.37 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.772 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.53 -30.09 67.86 Favored Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.997 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -56.65 -38.1 71.7 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.202 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.506 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.4 mm-40 -135.43 142.75 45.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.325 0.583 . . . . 0.0 111.875 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.38 -142.93 42.18 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 115.428 -0.806 . . . . 0.0 113.211 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -83.92 132.72 34.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.417 -0.891 . . . . 0.0 111.969 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -56.0 -38.16 70.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.646 0.736 . . . . 0.0 110.291 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.583 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 3.2 m-30 -70.9 -21.23 62.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.368 -1.287 . . . . 0.0 112.302 -176.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -112.3 140.05 47.34 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.544 HD21 ' OG ' ' A' ' 19' ' ' SER . 78.3 mt -102.1 133.78 46.4 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 174.14 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -101.51 163.19 12.39 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.552 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 76.6 tttt -51.6 -39.77 58.58 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.227 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -62.47 -52.09 64.9 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.015 -0.674 . . . . 0.0 112.338 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.506 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.2 mt-10 -63.99 -41.12 97.61 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.03 -176.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.27 -41.86 96.72 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.584 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.612 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 2.8 tptp -61.07 -46.84 89.01 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 114.959 -1.018 . . . . 0.0 111.86 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 39' ' ' THR . 77.8 mm-40 -69.47 -38.17 77.6 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.384 -0.526 . . . . 0.0 111.981 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.754 HD21 ' HB2' ' A' ' 18' ' ' HIS . 45.7 mt -64.93 -47.13 78.79 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.059 -0.656 . . . . 0.0 112.188 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.43 ' HB3' HD13 ' A' ' 45' ' ' LEU . 10.8 mp -72.12 -47.92 47.6 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.958 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.612 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 64.5 tt0 -62.85 -43.14 99.6 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -81.12 -44.26 18.19 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.372 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.412 ' N ' ' CG2' ' A' ' 39' ' ' THR . 76.5 mm-40 -71.67 -35.5 70.33 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 118.895 -1.122 . . . . 0.0 111.15 -178.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.8 mt -123.74 62.67 1.06 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.785 0.326 . . . . 0.0 110.493 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.1 p -59.61 -25.46 64.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.627 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.61 -70.44 1.33 Allowed Glycine 0 CA--C 1.528 0.889 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.571 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.447 ' CE1' ' HA ' ' A' ' 85' ' ' CYS . 81.8 t80 -57.49 -43.45 84.13 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.519 ' O ' ' C ' ' A' ' 46' ' ' ASP . 77.9 mt -92.41 -1.46 56.99 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.519 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.2 t0 -26.21 102.7 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.442 0.639 . . . . 0.0 111.199 -178.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.44 -22.38 66.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.914 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -55.26 -35.67 65.25 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.528 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.509 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 52.3 mtmt -59.19 -37.52 77.62 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.456 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.555 ' CB ' ' HB2' ' A' ' 53' ' ' ALA . 93.7 m-20 -142.16 100.86 3.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.935 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.4 t -62.48 -41.15 90.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 48.9 p30 -88.87 4.75 46.74 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HB2' ' CB ' ' A' ' 50' ' ' ASP . . . -63.67 -31.23 72.33 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.209 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.21 -43.54 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.793 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.552 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 88.1 m-20 -61.33 -43.13 99.39 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.831 -0.748 . . . . 0.0 110.36 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -62.42 -40.18 95.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.739 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 53' ' ' ALA . 69.4 t -66.49 -46.77 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.306 -0.558 . . . . 0.0 112.322 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.519 ' SD ' ' C ' ' A' ' 58' ' ' MET . 2.4 ppp? -66.0 -37.48 86.04 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.622 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 58' ' ' MET . 48.8 tttm -57.77 -41.53 82.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.386 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.69 -37.17 85.73 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.943 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.696 HD21 HD22 ' A' ' 77' ' ' LEU . 90.0 mt -66.97 -38.82 86.77 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.565 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 46.7 t0 -77.8 81.02 4.24 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 118.821 -1.152 . . . . 0.0 111.296 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.77 -38.64 86.99 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.241 0.543 . . . . 0.0 111.661 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -58.92 -36.49 74.83 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.181 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.11 2.11 71.69 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 107.988 -2.045 . . . . 0.0 107.988 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.663 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 53.4 p30 -62.34 -32.43 73.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 113.938 -1.131 . . . . 0.0 112.072 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.663 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 99.05 -5.83 59.59 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.409 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 84.4 tt0 -111.22 141.02 45.29 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.9 t -105.85 132.38 53.01 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-O 121.253 0.549 . . . . 0.0 110.658 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.5 t0 -104.32 147.26 27.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.511 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.567 ' CE2' ' CG2' ' A' ' 75' ' ' VAL . 87.6 t80 -52.46 -39.0 60.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.882 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.556 ' HG2' HG11 ' B' ' 83' ' ' VAL . 94.3 mt-30 -59.18 -39.61 83.09 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.322 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.16 -41.5 85.92 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.619 0.723 . . . . 0.0 109.888 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.416 ' CE2' ' CZ ' ' A' ' 15' ' ' PHE . 89.8 t80 -64.94 -40.16 94.61 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.968 HG12 ' HB1' ' B' ' 79' ' ' ALA . 75.9 t -58.4 -40.61 78.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.123 -0.631 . . . . 0.0 112.104 -176.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.59 -43.95 95.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 118.945 -1.102 . . . . 0.0 110.455 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.696 HD22 HD21 ' A' ' 61' ' ' LEU . 26.9 tp -66.07 -41.06 91.26 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 75' ' ' VAL . 2.8 p -59.04 -33.11 49.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 119.911 -0.715 . . . . 0.0 110.696 -177.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.948 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -59.6 -41.7 90.9 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.144 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.1 -40.05 78.62 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.877 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.15 -39.03 93.14 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.483 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.2 t -60.13 -41.72 93.3 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.765 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.563 HG11 ' HG2' ' B' ' 72' ' ' GLN . 92.6 t -61.86 -41.22 89.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.12 82.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.521 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.6 OUTLIER -60.59 -33.56 72.91 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -54.89 -37.18 65.98 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.101 0.477 . . . . 0.0 110.62 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 . . . . . 0 C--N 1.329 -0.314 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.845 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.566 0.222 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.69 -38.32 90.61 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.474 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.9 -40.07 94.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.939 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.56 -40.65 95.47 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 37.0 m -64.78 -38.0 89.5 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.673 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.21 72.23 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.633 -178.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.3 mtm -59.47 -41.01 88.76 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.407 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.45 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 97.9 mt-10 -67.04 -37.48 84.16 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.895 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.7 m -62.14 -45.08 95.04 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.62 -47.62 85.42 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 119.579 -0.848 . . . . 0.0 110.739 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' B' ' 16' ' ' HIS . 86.5 mt -60.86 -42.82 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.492 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.568 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 24.2 m120 -61.88 -39.9 93.52 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.541 -0.463 . . . . 0.0 111.841 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 87.8 t -69.34 -51.19 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 120.045 -0.662 . . . . 0.0 111.997 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.498 ' HD1' HD13 ' B' ' 36' ' ' LEU . 81.3 m-85 -68.45 -44.95 73.77 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 119.611 -0.835 . . . . 0.0 111.675 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.409 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 39.3 t-80 -61.22 -39.83 91.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.07 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' B' ' 13' ' ' ASN . . . -61.01 -42.28 98.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.803 -177.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.753 ' HB2' HD21 ' B' ' 36' ' ' LEU . 98.3 m-70 -88.11 -27.02 22.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.545 ' OG ' HD21 ' B' ' 28' ' ' LEU . 19.5 m -58.0 -37.02 73.5 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.745 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.47 -30.09 67.67 Favored Glycine 0 CA--C 1.524 0.616 0 CA-C-N 115.61 -0.723 . . . . 0.0 113.011 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -56.65 -38.12 71.73 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.236 -178.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.514 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.4 mm-40 -135.37 142.76 45.77 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.866 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.44 -142.92 42.35 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 115.457 -0.792 . . . . 0.0 113.149 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -84.01 132.68 34.72 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.365 -0.917 . . . . 0.0 111.891 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -55.92 -38.2 69.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.664 0.745 . . . . 0.0 110.311 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 3.2 m-30 -70.93 -21.22 62.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.32 -1.309 . . . . 0.0 112.263 -176.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -112.36 140.05 47.41 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.545 HD21 ' OG ' ' B' ' 19' ' ' SER . 77.9 mt -102.06 133.77 46.36 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 174.106 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -101.5 163.22 12.38 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.581 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 76.7 tttt -51.6 -39.81 58.67 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 118.987 -1.085 . . . . 0.0 109.235 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -62.43 -52.11 64.86 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 119.968 -0.693 . . . . 0.0 112.371 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.2 mt-10 -63.95 -41.14 97.67 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.039 -176.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.23 -41.92 96.79 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.56 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.591 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 2.9 tptp -61.04 -46.78 89.31 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.877 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.506 ' O ' HG22 ' B' ' 39' ' ' THR . 77.8 mm-40 -69.5 -38.15 77.49 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.037 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.753 HD21 ' HB2' ' B' ' 18' ' ' HIS . 45.7 mt -64.9 -47.21 78.6 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.228 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.434 ' HB3' HD13 ' B' ' 45' ' ' LEU . 10.8 mp -72.02 -48.02 47.6 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.806 -0.758 . . . . 0.0 111.947 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.591 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.5 tt0 -62.85 -43.08 99.75 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.506 HG22 ' O ' ' B' ' 35' ' ' GLU . 0.7 OUTLIER -81.15 -44.11 18.37 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.379 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.426 ' N ' ' CG2' ' B' ' 39' ' ' THR . 76.4 mm-40 -71.78 -35.51 70.06 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 118.888 -1.125 . . . . 0.0 111.133 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -123.69 62.78 1.05 Allowed 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.718 0.295 . . . . 0.0 110.482 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -59.7 -25.42 64.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.637 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.68 -70.45 1.33 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.496 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' B' ' 85' ' ' CYS . 81.9 t80 -57.4 -43.6 83.82 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' B' ' 46' ' ' ASP . 77.8 mt -92.41 -1.32 57.09 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.529 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.2 t0 -26.26 102.69 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.431 0.634 . . . . 0.0 111.194 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.49 -22.34 66.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.885 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -55.31 -35.53 65.23 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.552 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.522 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 52.4 mtmt -59.32 -37.5 77.95 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.386 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.559 ' CB ' ' HB2' ' B' ' 53' ' ' ALA . 93.7 m-20 -142.18 100.84 3.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.973 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.54 -41.07 90.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.441 ' OD1' ' C ' ' B' ' 52' ' ' ASP . 49.0 p30 -88.91 4.82 46.64 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.559 ' HB2' ' CB ' ' B' ' 50' ' ' ASP . . . -63.64 -31.36 72.5 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.256 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.05 -43.67 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.806 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.581 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 87.8 m-20 -61.25 -43.15 99.35 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.415 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -62.35 -40.27 95.86 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.737 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 53' ' ' ALA . 69.5 t -66.44 -46.82 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 120.347 -0.541 . . . . 0.0 112.342 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.519 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.4 ppp? -66.03 -37.44 85.88 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.632 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -57.76 -41.6 82.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.362 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.69 -37.17 85.71 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.895 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.69 HD21 HD22 ' B' ' 77' ' ' LEU . 89.9 mt -66.91 -38.92 87.12 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.575 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 46.7 t0 -77.72 80.96 4.17 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 118.846 -1.142 . . . . 0.0 111.281 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.73 -38.6 86.99 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.32 0.581 . . . . 0.0 111.74 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -59.02 -36.46 74.99 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.25 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.14 2.12 71.59 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.663 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.4 p30 -62.31 -32.59 73.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.026 -1.087 . . . . 0.0 112.013 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.663 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 99.18 -5.88 59.42 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.47 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 84.3 tt0 -111.22 140.99 45.32 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -105.84 132.32 53.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 CA-C-O 121.35 0.595 . . . . 0.0 110.628 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.5 t0 -104.3 147.34 27.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.476 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.561 ' CE2' ' CG2' ' B' ' 75' ' ' VAL . 87.8 t80 -52.48 -39.06 60.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.894 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.563 ' HG2' HG11 ' A' ' 83' ' ' VAL . 94.3 mt-30 -59.11 -39.58 82.73 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.309 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.2 -41.53 85.66 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.561 0.696 . . . . 0.0 109.816 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.41 ' CE2' ' CZ ' ' B' ' 15' ' ' PHE . 89.9 t80 -64.89 -40.25 94.8 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.948 HG12 ' HB1' ' A' ' 79' ' ' ALA . 75.8 t -58.37 -40.65 78.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.239 -0.584 . . . . 0.0 112.062 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.57 -43.95 95.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 118.933 -1.107 . . . . 0.0 110.516 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.69 HD22 HD21 ' B' ' 61' ' ' LEU . 26.9 tp -66.16 -40.95 90.93 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.581 HG12 ' O ' ' B' ' 75' ' ' VAL . 2.8 p -59.11 -33.1 49.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.695 -177.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.968 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -59.62 -41.76 91.15 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.11 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.07 78.82 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 119.781 -0.768 . . . . 0.0 110.899 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.21 -38.99 93.03 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.504 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.2 t -60.12 -41.64 93.08 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.8 -179.184 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.556 HG11 ' HG2' ' A' ' 72' ' ' GLN . 91.5 t -61.9 -41.27 90.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.02 82.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.518 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.6 OUTLIER -60.65 -33.51 72.91 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.054 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -54.87 -37.23 65.99 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.159 0.504 . . . . 0.0 110.639 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.89 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.743 0.306 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.33 -35.39 78.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.684 HD13 ' OE1' ' B' ' 40' ' ' GLU . 8.4 tt -59.99 -40.1 88.01 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.031 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.5 -40.18 90.41 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 119.441 -0.904 . . . . 0.0 108.598 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.2 m -64.8 -37.99 89.47 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.543 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.95 98.87 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.684 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.6 mtm -57.22 -40.51 77.68 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 118.013 -1.475 . . . . 0.0 108.199 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 98.0 mt-10 -67.04 -35.96 81.03 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.922 -1.036 . . . . 0.0 110.957 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.411 ' O ' HG13 ' A' ' 14' ' ' VAL . 45.9 m -62.16 -44.04 97.49 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.964 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.438 ' O ' HG22 ' A' ' 14' ' ' VAL . 82.6 mt -60.9 -45.36 94.91 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.812 0.815 . . . . 0.0 111.113 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -68.26 -40.67 82.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.822 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 25.5 m-20 -60.16 -41.39 92.71 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.054 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 11' ' ' LEU . 25.5 m -74.16 -35.29 40.46 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.105 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.442 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.501 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 66.3 t80 -59.58 -48.36 81.98 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.316 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -61.42 -43.84 98.16 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.98 97.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.477 ' CB ' HD21 ' A' ' 36' ' ' LEU . 96.8 m-70 -90.53 -32.01 16.5 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.4 p -62.89 -31.29 72.31 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.932 -0.707 . . . . 0.0 111.621 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.16 -28.68 67.03 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 115.879 -0.6 . . . . 0.0 113.894 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.469 ' NZ ' ' O ' ' A' ' 18' ' ' HIS . 32.3 mtmm -57.02 -40.88 77.53 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -176.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.589 ' N ' ' OE2' ' A' ' 32' ' ' GLU . 94.5 mt-10 -141.71 150.65 42.11 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 119.894 -0.722 . . . . 0.0 112.67 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.38 -153.0 51.2 Favored Glycine 0 C--N 1.329 0.153 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -71.92 137.65 47.53 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -59.79 -39.4 84.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.862 0.839 . . . . 0.0 110.067 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.546 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 3.2 m-30 -71.34 -30.14 65.83 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.158 -1.383 . . . . 0.0 113.407 -175.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -120.73 154.19 35.96 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.206 0.527 . . . . 0.0 111.894 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.61 144.56 25.64 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.1 t -98.14 158.01 15.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.018 -1.446 . . . . 0.0 107.428 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -52.95 -42.01 65.06 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.208 -0.997 . . . . 0.0 110.67 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -61.02 -48.57 81.18 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.505 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.589 ' OE2' ' N ' ' A' ' 22' ' ' GLU . 97.2 mt-10 -62.37 -39.85 94.53 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.183 -176.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.83 -41.43 99.32 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.503 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.555 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 2.7 tptp -60.85 -45.53 94.16 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.724 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -66.97 -38.25 85.72 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 120.02 -0.672 . . . . 0.0 112.081 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.477 HD21 ' CB ' ' A' ' 18' ' ' HIS . 78.5 mt -66.83 -45.92 76.77 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.68 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.7 mt -68.44 -41.98 79.52 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 118.902 -1.119 . . . . 0.0 110.494 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.555 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.2 tt0 -63.4 -42.24 98.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.995 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 3.0 t -84.98 -45.57 12.05 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.164 -0.614 . . . . 0.0 112.386 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.684 ' OE1' HD13 ' B' ' 4' ' ' LEU . 97.0 mt-10 -71.96 -35.6 69.6 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.015 -178.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.6 mt -122.0 46.48 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.85 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -57.52 -25.41 59.81 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.86 -68.15 1.34 Allowed Glycine 0 CA--C 1.531 1.083 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.757 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -57.86 -43.78 86.18 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.524 ' O ' ' C ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -91.34 -2.49 57.34 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.524 ' C ' ' O ' ' A' ' 45' ' ' LEU . 59.9 t0 -25.01 112.37 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.542 0.687 . . . . 0.0 111.25 -177.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -27.31 69.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.02 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -56.3 -36.8 69.06 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.345 -178.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -60.85 -40.12 91.69 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.487 ' CG ' ' H ' ' A' ' 53' ' ' ALA . 66.0 t0 -156.86 95.06 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.104 -1.407 . . . . 0.0 111.455 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.91 -40.48 85.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -60.77 -28.35 68.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.561 -1.2 . . . . 0.0 112.465 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.487 ' H ' ' CG ' ' A' ' 50' ' ' ASP . . . -52.46 -32.01 37.62 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.582 -0.447 . . . . 0.0 112.129 -176.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.434 HG21 ' HD3' ' A' ' 34' ' ' LYS . 55.4 t -57.38 -46.69 85.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.336 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.71 -40.89 96.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.315 0.579 . . . . 0.0 110.867 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -59.59 -41.34 90.05 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.321 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.2 m -76.52 -37.76 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 119.568 -0.853 . . . . 0.0 111.826 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.524 ' SD ' ' C ' ' A' ' 58' ' ' MET . 1.7 ppp? -62.81 -38.82 92.2 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.616 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 58' ' ' MET . 47.3 mtpt -59.68 -38.79 82.5 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.956 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.9 -38.1 89.83 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.433 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.72 HD21 HD22 ' A' ' 77' ' ' LEU . 92.1 mt -67.26 -36.92 82.61 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.03 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.537 ' OD1' HG22 ' A' ' 69' ' ' VAL . 99.7 m-20 -92.91 35.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.448 -0.797 . . . . 0.0 112.887 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -51.03 -31.04 17.1 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 121.474 0.654 . . . . 0.0 109.272 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.556 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 10.7 m120 -52.71 -31.3 36.95 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.859 -178.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.96 4.33 56.74 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 108.152 -1.979 . . . . 0.0 108.152 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.586 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 54.1 p30 -90.13 126.58 35.85 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 122.245 1.022 . . . . 0.0 110.388 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -53.82 -25.3 29.43 Favored Glycine 0 C--N 1.306 -1.127 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.527 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -94.75 145.06 25.13 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.605 0.717 . . . . 0.0 110.781 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.537 HG22 ' OD1' ' A' ' 62' ' ' ASP . 58.3 t -102.54 131.75 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.201 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -83.89 142.61 30.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.418 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.617 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 40.0 t80 -56.05 -41.24 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.358 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -57.76 -41.11 81.28 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.712 -0.795 . . . . 0.0 109.805 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.556 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 98.5 mt-10 -66.75 -40.05 88.14 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.092 0.472 . . . . 0.0 110.7 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.531 ' O ' HG23 ' A' ' 78' ' ' VAL . 88.9 t80 -65.51 -45.6 82.92 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 1.02 HG12 ' HB1' ' B' ' 79' ' ' ALA . 58.3 t -63.56 -42.45 96.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.095 -178.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.469 HG13 HG13 ' B' ' 76' ' ' VAL . 58.6 t -61.11 -44.49 98.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.617 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.72 HD22 HD21 ' A' ' 61' ' ' LEU . 30.0 tp -63.56 -39.46 94.45 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.767 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 74' ' ' TYR . 53.5 t -59.87 -39.07 78.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.994 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 1.009 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -57.84 -40.38 79.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.512 -178.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.66 -41.49 79.22 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.404 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.59 -40.49 95.63 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.561 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.4 t -64.27 -40.34 95.78 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 118.862 -1.135 . . . . 0.0 109.73 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.483 HG22 ' CE2' ' B' ' 71' ' ' PHE . 69.0 t -62.2 -41.89 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.44 -31.44 72.66 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.268 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -53.95 -34.85 60.87 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.166 -179.659 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.42 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 49.8 t-20 -56.17 -37.4 69.5 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.18 0.514 . . . . 0.0 110.467 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.513 -179.396 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.747 0.308 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.4 -35.33 78.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.868 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.684 HD13 ' OE1' ' A' ' 40' ' ' GLU . 8.4 tt -60.0 -40.11 88.09 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.022 -178.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.43 -40.22 90.29 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.3 m -64.85 -37.98 89.44 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.545 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.94 98.8 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.677 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.7 mtm -57.27 -40.5 77.85 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 118.038 -1.465 . . . . 0.0 108.158 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 98.1 mt-10 -67.03 -36.05 81.25 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.946 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.415 ' O ' HG13 ' B' ' 14' ' ' VAL . 46.1 m -62.06 -44.08 97.45 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.987 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.437 ' O ' HG22 ' B' ' 14' ' ' VAL . 82.9 mt -60.86 -45.44 94.53 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.802 0.81 . . . . 0.0 111.065 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -68.21 -40.59 82.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.882 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.434 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 25.6 m-20 -60.26 -41.33 93.04 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.977 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.437 HG22 ' O ' ' B' ' 11' ' ' LEU . 25.7 m -74.18 -35.33 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.429 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.497 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 66.4 t80 -59.49 -48.41 81.74 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.331 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -61.39 -43.84 98.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.21 -40.94 97.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -177.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.509 ' HA ' ' HZ2' ' B' ' 21' ' ' LYS . 96.9 m-70 -90.6 -31.96 16.46 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.0 p -62.88 -31.33 72.35 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.636 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.2 -28.66 67.09 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 115.755 -0.657 . . . . 0.0 113.909 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.509 ' HZ2' ' HA ' ' B' ' 18' ' ' HIS . 32.3 mtmm -56.98 -40.8 77.23 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -176.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.578 ' N ' ' OE2' ' B' ' 32' ' ' GLU . 94.5 mt-10 -141.77 150.59 41.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.621 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.43 -153.04 51.23 Favored Glycine 0 C--N 1.33 0.216 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -71.92 137.69 47.57 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -59.84 -39.36 84.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.816 0.817 . . . . 0.0 110.074 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 3.2 m-30 -71.38 -30.13 65.76 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.191 -1.368 . . . . 0.0 113.349 -175.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -120.74 154.13 36.06 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.944 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.5 144.54 25.69 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.0 t -98.22 157.99 15.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.088 -1.414 . . . . 0.0 107.428 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -52.94 -41.98 64.99 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.629 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -61.07 -48.59 80.99 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 119.355 -0.938 . . . . 0.0 111.433 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.578 ' OE2' ' N ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -62.4 -39.89 94.71 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.137 -176.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.81 -41.41 99.28 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.48 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.529 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 2.7 tptp -60.95 -45.45 94.69 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.689 177.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.403 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -67.04 -38.21 85.46 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 119.994 -0.682 . . . . 0.0 112.068 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.464 HD21 ' CB ' ' B' ' 18' ' ' HIS . 78.9 mt -66.78 -45.91 76.97 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.726 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 60.8 mt -68.49 -42.03 79.22 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 118.868 -1.133 . . . . 0.0 110.42 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.529 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.2 tt0 -63.39 -42.18 98.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.18 -0.918 . . . . 0.0 113.012 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 3.0 t -85.05 -45.54 12.01 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.128 -0.629 . . . . 0.0 112.394 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.684 ' OE1' HD13 ' A' ' 4' ' ' LEU . 96.9 mt-10 -72.0 -35.55 69.48 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.024 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 64.5 mt -121.95 46.49 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.869 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -57.61 -25.34 59.95 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.87 -68.1 1.34 Allowed Glycine 0 CA--C 1.531 1.038 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.767 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -57.93 -43.77 86.51 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -91.15 -2.53 57.53 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.089 0.404 . . . . 0.0 112.089 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.528 ' C ' ' O ' ' B' ' 45' ' ' LEU . 59.9 t0 -25.05 112.49 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.523 0.677 . . . . 0.0 111.192 -177.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.91 -27.33 69.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.013 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -56.22 -36.87 68.95 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.29 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -60.76 -40.22 91.71 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.495 ' CG ' ' H ' ' B' ' 53' ' ' ALA . 65.8 t0 -156.81 95.0 1.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.49 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.89 -40.47 85.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -60.81 -28.3 68.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.568 -1.196 . . . . 0.0 112.455 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.495 ' H ' ' CG ' ' B' ' 50' ' ' ASP . . . -52.4 -32.09 37.22 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.566 -0.453 . . . . 0.0 112.168 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.416 HG21 ' HD3' ' B' ' 34' ' ' LYS . 55.7 t -57.34 -46.79 85.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 119.701 -0.8 . . . . 0.0 110.294 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -64.6 -40.91 96.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.249 0.547 . . . . 0.0 110.867 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -59.54 -41.35 89.87 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.364 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 27.3 m -76.58 -37.74 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 119.55 -0.86 . . . . 0.0 111.784 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.518 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.7 ppp? -62.84 -38.86 92.43 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.588 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' B' ' 58' ' ' MET . 47.4 mtpt -59.58 -38.86 82.31 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 119.507 -0.877 . . . . 0.0 110.941 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.86 -38.2 90.17 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.286 -0.565 . . . . 0.0 110.388 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.706 HD21 HD22 ' B' ' 77' ' ' LEU . 92.0 mt -67.12 -37.09 83.27 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.041 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.546 ' OD1' HG22 ' B' ' 69' ' ' VAL . 99.7 m-20 -92.82 34.95 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.003 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -51.01 -31.0 16.77 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 121.52 0.676 . . . . 0.0 109.373 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.56 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 10.7 m120 -52.76 -31.24 37.15 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.834 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.95 4.27 56.77 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 108.163 -1.975 . . . . 0.0 108.163 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.59 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 54.1 p30 -90.03 126.55 35.8 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 122.178 0.99 . . . . 0.0 110.479 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -53.78 -25.36 29.34 Favored Glycine 0 C--N 1.305 -1.177 0 CA-C-N 114.359 -1.291 . . . . 0.0 110.59 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -94.67 145.05 25.11 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.669 0.747 . . . . 0.0 110.799 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.546 HG22 ' OD1' ' B' ' 62' ' ' ASP . 58.4 t -102.53 131.7 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.187 -178.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -83.78 142.62 30.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.481 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.617 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 40.2 t80 -56.03 -41.36 74.85 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.372 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -57.54 -41.24 80.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.902 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.56 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 98.5 mt-10 -66.67 -40.02 88.43 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.116 0.484 . . . . 0.0 110.738 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.531 ' O ' HG23 ' B' ' 78' ' ' VAL . 88.9 t80 -65.55 -45.71 82.32 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 1.009 HG12 ' HB1' ' A' ' 79' ' ' ALA . 58.8 t -63.43 -42.51 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.469 HG13 HG13 ' A' ' 76' ' ' VAL . 58.5 t -61.03 -44.49 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.63 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.706 HD22 HD21 ' B' ' 61' ' ' LEU . 30.2 tp -63.66 -39.49 94.46 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.654 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 74' ' ' TYR . 53.5 t -59.9 -39.03 78.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.05 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 1.02 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -57.81 -40.38 79.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.568 -178.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.64 -41.51 79.33 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.346 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.6 mt -64.67 -40.56 95.63 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.552 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.5 t -64.05 -40.45 96.32 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 118.872 -1.131 . . . . 0.0 109.791 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.481 HG22 ' CE2' ' A' ' 71' ' ' PHE . 69.9 t -62.29 -41.83 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.54 -31.32 72.48 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.242 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.552 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -54.1 -34.83 61.22 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.073 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.428 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 49.7 t-20 -56.16 -37.36 69.44 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.124 0.488 . . . . 0.0 110.435 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.514 -179.383 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 m . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.842 0.353 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.64 -34.96 76.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.294 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.49 HD22 ' OE1' ' B' ' 40' ' ' GLU . 39.1 tp -59.08 -40.0 83.88 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.519 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.65 -40.72 88.63 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.342 -0.943 . . . . 0.0 108.667 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.1 m -65.83 -37.49 86.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.922 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.64 84.75 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.921 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.9 mtm -58.43 -41.03 84.14 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 118.867 -1.133 . . . . 0.0 109.122 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.78 -35.7 79.14 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.878 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.915 ' O ' HG23 ' A' ' 14' ' ' VAL . 45.7 m -61.92 -43.81 98.07 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.088 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.413 ' CD2' ' CD1' ' B' ' 4' ' ' LEU . 80.5 mt -61.51 -46.6 89.28 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.711 0.767 . . . . 0.0 111.03 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.57 -42.53 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.75 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -59.05 -38.49 79.5 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.915 HG23 ' O ' ' A' ' 10' ' ' THR . 88.9 t -64.73 -43.01 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.152 178.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 89.6 t80 -59.28 -50.12 75.2 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.845 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -59.97 -38.62 83.04 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.401 -0.519 . . . . 0.0 111.717 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.76 -39.9 95.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.745 ' HB2' HD21 ' A' ' 36' ' ' LEU . 96.7 m-70 -101.43 -48.37 4.37 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -178.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.496 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 24.7 m -58.07 -34.93 70.66 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.543 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.67 -30.24 62.27 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.655 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -57.71 -38.61 75.54 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -127.5 150.38 49.7 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.42 0.629 . . . . 0.0 112.217 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.47 -159.21 11.85 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -72.7 141.57 48.22 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.895 0.378 . . . . 0.0 110.336 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.01 -39.81 87.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.771 0.796 . . . . 0.0 110.176 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 3.1 m-30 -74.06 -19.07 60.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.431 -175.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HZ3' ' HG2' ' A' ' 68' ' ' GLU . 20.8 tptm -112.99 140.26 47.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.315 -178.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 29' ' ' SER . 4.9 tt -97.46 130.68 44.54 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -178.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.6 ' N ' HD23 ' A' ' 28' ' ' LEU . 35.8 t -101.76 151.38 22.12 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.983 0.42 . . . . 0.0 111.26 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HZ1' ' HG2' ' A' ' 58' ' ' MET . 69.1 tttt -53.5 -40.46 65.41 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.866 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.02 -48.29 82.12 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 119.153 -1.019 . . . . 0.0 110.167 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.557 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.8 mt-10 -61.79 -37.19 83.44 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.454 -177.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.24 -45.16 94.56 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.0 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.733 ' HZ3' ' HB3' ' A' ' 47' ' ' ALA . 19.5 tptt -60.11 -41.55 92.82 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.311 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.435 ' O ' HG22 ' A' ' 39' ' ' THR . 78.0 mm-40 -69.35 -38.96 78.36 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 114.537 -1.21 . . . . 0.0 112.314 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 18' ' ' HIS . 86.3 mt -66.75 -50.08 63.91 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 119.316 -0.954 . . . . 0.0 112.226 178.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.519 HD21 ' OH ' ' A' ' 74' ' ' TYR . 63.2 mt -68.17 -42.87 79.34 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.439 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.557 ' HB2' ' HZ2' ' A' ' 34' ' ' LYS . 19.5 tt0 -64.17 -43.05 96.32 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -178.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.488 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.6 t -84.15 -46.58 11.77 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.505 -0.878 . . . . 0.0 112.238 -178.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.679 ' C ' HD12 ' A' ' 41' ' ' LEU . 95.7 mt-10 -73.7 -34.09 64.68 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.841 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.679 HD12 ' C ' ' A' ' 40' ' ' GLU . 9.0 mp -122.65 51.85 1.37 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.72 0.295 . . . . 0.0 110.819 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.8 p -58.28 -25.47 61.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.849 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.48 -69.32 1.27 Allowed Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.734 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.98 -43.43 86.54 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.671 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -92.16 -2.98 56.25 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.529 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 56.1 p30 -20.77 76.56 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.722 0.773 . . . . 0.0 112.626 -177.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.733 ' HB3' ' HZ3' ' A' ' 34' ' ' LYS . . . -63.34 -27.21 69.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.185 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -52.48 -37.18 56.59 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.427 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.521 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 71.5 mmtt -58.97 -38.03 78.15 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.521 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.9 m-20 -142.87 89.49 2.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.67 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.29 -39.57 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.047 0.451 . . . . 0.0 110.422 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -56.06 -33.46 65.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.998 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.04 -29.45 65.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.014 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.91 -44.56 82.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.198 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -61.3 -41.22 96.62 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.035 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.97 -39.05 84.33 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.821 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.88 -44.5 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.23 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.528 ' SD ' ' C ' ' A' ' 58' ' ' MET . 1.8 ppp? -65.28 -38.45 90.31 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.891 -0.724 . . . . 0.0 111.765 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.35 -38.02 79.33 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.719 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.89 -38.46 91.16 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.837 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 70.4 mt -68.05 -35.65 78.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.335 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.538 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 96.7 m-20 -97.5 34.95 1.72 Allowed 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.272 -0.876 . . . . 0.0 113.104 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -49.76 -30.37 9.38 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.326 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.547 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 11.4 m120 -53.13 -34.39 56.56 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.538 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.41 3.89 62.8 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.697 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.7 p30 -61.44 -36.09 79.4 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 114.814 -0.693 . . . . 0.0 112.171 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.697 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 91.96 -6.7 79.24 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.538 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 39.9 tp10 -118.64 149.0 42.13 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.516 ' O ' ' O ' ' A' ' 28' ' ' LEU . 48.4 t -101.12 129.54 51.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.807 0.813 . . . . 0.0 111.992 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -95.32 129.96 42.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.298 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.569 ' CE2' ' CG2' ' A' ' 75' ' ' VAL . 90.6 t80 -52.05 -40.88 61.77 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.358 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -56.57 -41.3 76.68 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.667 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.547 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.6 mt-10 -66.84 -38.71 86.93 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 120.999 0.428 . . . . 0.0 110.592 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.59 ' CE2' HG21 ' A' ' 78' ' ' VAL . 92.2 t80 -63.08 -42.05 99.55 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 1.017 HG12 ' HB1' ' B' ' 79' ' ' ALA . 73.6 t -59.46 -42.35 87.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.315 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.23 -43.1 97.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.294 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -64.28 -40.1 95.28 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 120.932 0.396 . . . . 0.0 110.408 -179.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.59 HG21 ' CE2' ' A' ' 74' ' ' TYR . 54.6 t -61.21 -39.36 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 120.357 -0.537 . . . . 0.0 112.176 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 1.023 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -59.22 -38.92 81.14 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -177.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.12 -43.69 73.9 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.776 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -67.93 -38.93 83.48 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 78' ' ' VAL . 1.4 t -58.93 -43.07 91.11 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 119.12 -1.032 . . . . 0.0 109.951 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.467 ' CG2' HG21 ' B' ' 75' ' ' VAL . 95.6 t -63.96 -41.15 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.13 0.49 . . . . 0.0 109.935 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.9 -31.54 72.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.456 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 70.9 m -54.72 -35.78 64.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.824 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.39 -34.17 66.45 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.771 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 C--O 1.224 -0.247 0 CA-C-O 121.603 0.716 . . . . 0.0 109.224 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.0 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.848 0.356 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.73 -34.89 76.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.252 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.481 HD22 ' OE1' ' A' ' 40' ' ' GLU . 39.1 tp -59.24 -39.9 84.23 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.464 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.65 -40.77 88.8 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 119.459 -0.896 . . . . 0.0 108.648 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.2 m -65.81 -37.56 86.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.938 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.56 -46.75 84.49 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.909 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.0 mtm -58.34 -40.98 83.61 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 118.838 -1.145 . . . . 0.0 109.136 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.84 -35.75 79.14 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.872 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.9 ' O ' HG23 ' B' ' 14' ' ' VAL . 45.3 m -61.93 -43.77 98.16 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.082 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.418 ' CD2' ' CD1' ' A' ' 4' ' ' LEU . 80.4 mt -61.55 -46.55 89.43 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 121.701 0.762 . . . . 0.0 111.089 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.59 -42.41 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.851 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -59.18 -38.49 79.92 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 10' ' ' THR . 88.3 t -64.65 -43.07 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.2 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.554 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 89.6 t80 -59.22 -50.13 75.2 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.862 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -59.94 -38.55 82.76 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.793 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.93 95.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.745 ' HB2' HD21 ' B' ' 36' ' ' LEU . 96.7 m-70 -101.36 -48.34 4.4 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -177.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.495 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 24.9 m -58.17 -34.9 70.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.512 -177.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.71 -30.2 62.34 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.699 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -57.72 -38.58 75.54 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.554 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.9 mm-40 -127.56 150.42 49.71 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.408 0.623 . . . . 0.0 112.271 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.43 -159.11 11.81 Favored Glycine 0 CA--C 1.519 0.341 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.75 141.55 48.14 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.91 0.386 . . . . 0.0 110.317 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.14 -39.71 87.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.742 0.782 . . . . 0.0 110.17 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.567 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 3.1 m-30 -74.05 -19.02 60.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.025 -1.443 . . . . 0.0 112.488 -176.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.528 ' HZ3' ' HG2' ' B' ' 68' ' ' GLU . 20.8 tptm -112.99 140.23 47.98 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.343 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.604 HD23 ' N ' ' B' ' 29' ' ' SER . 4.9 tt -97.57 130.59 44.6 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.604 ' N ' HD23 ' B' ' 28' ' ' LEU . 35.9 t -101.65 151.45 22.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.879 0.371 . . . . 0.0 111.308 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.483 ' HZ1' ' HG2' ' B' ' 58' ' ' MET . 69.0 tttt -53.61 -40.37 65.67 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.898 -178.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.06 -48.31 82.07 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.127 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.554 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.8 mt-10 -61.89 -37.14 83.49 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.403 -177.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.12 -45.23 94.41 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.087 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.725 ' HZ3' ' HB3' ' B' ' 47' ' ' ALA . 19.5 tptt -60.0 -41.66 92.59 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.339 178.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.447 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -69.21 -39.06 78.82 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 114.495 -1.23 . . . . 0.0 112.397 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' B' ' 18' ' ' HIS . 86.7 mt -66.72 -50.13 63.79 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.33 -0.948 . . . . 0.0 112.207 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.518 HD21 ' OH ' ' B' ' 74' ' ' TYR . 63.2 mt -68.21 -42.83 79.26 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.257 -0.977 . . . . 0.0 111.36 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.628 ' HB2' ' HZ2' ' B' ' 34' ' ' LYS . 19.6 tt0 -64.31 -42.94 96.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.6 t -84.15 -46.55 11.8 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.597 -0.841 . . . . 0.0 112.263 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.679 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.8 mt-10 -73.7 -34.13 64.7 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.848 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.679 HD12 ' C ' ' B' ' 40' ' ' GLU . 9.0 mp -122.65 51.8 1.38 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.694 0.283 . . . . 0.0 110.816 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -58.21 -25.56 61.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.847 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.39 -69.45 1.27 Allowed Glycine 0 CA--C 1.531 1.068 0 N-CA-C 111.639 -0.584 . . . . 0.0 111.639 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.94 -43.37 86.32 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.689 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.4 OUTLIER -92.15 -3.1 56.1 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.537 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 56.0 p30 -20.61 76.5 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.697 0.76 . . . . 0.0 112.6 -177.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.725 ' HB3' ' HZ3' ' B' ' 34' ' ' LYS . . . -63.32 -27.23 69.18 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.181 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -52.45 -37.26 56.52 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.412 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.516 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 71.5 mmtt -58.81 -38.15 77.97 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.516 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.7 m-20 -142.84 89.54 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.674 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.27 -39.6 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.008 0.433 . . . . 0.0 110.448 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -56.13 -33.39 65.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.036 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.96 -29.59 65.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.036 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.75 -44.65 82.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.226 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.33 -41.16 96.58 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.024 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.98 -39.06 84.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.908 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.5 t -66.88 -44.58 88.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.107 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.541 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -65.25 -38.51 90.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.706 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.3 -38.03 79.21 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 119.766 -0.774 . . . . 0.0 111.718 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.8 -38.51 91.36 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.882 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.482 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 70.3 mt -67.95 -35.73 78.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.448 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.54 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 96.7 m-20 -97.51 35.04 1.71 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.182 -0.917 . . . . 0.0 113.06 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -49.75 -30.43 9.47 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.312 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.55 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 11.5 m120 -53.09 -34.44 56.62 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.519 -178.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.37 4.03 62.79 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 108.705 -1.758 . . . . 0.0 108.705 -177.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.692 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.9 p30 -61.49 -36.02 79.31 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 114.782 -0.709 . . . . 0.0 112.185 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.692 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 92.0 -6.77 79.15 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.54 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 39.9 tp10 -118.66 148.89 42.26 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.521 ' O ' ' O ' ' B' ' 28' ' ' LEU . 48.1 t -101.01 129.55 51.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.828 0.823 . . . . 0.0 112.017 -178.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -95.36 130.02 42.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.33 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.573 ' CE2' ' CG2' ' B' ' 75' ' ' VAL . 90.7 t80 -52.13 -40.81 61.89 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.019 -0.672 . . . . 0.0 111.388 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -56.51 -41.28 76.45 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.463 -0.895 . . . . 0.0 109.666 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.55 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.7 mt-10 -66.91 -38.72 86.75 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 178.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.59 ' CE2' HG21 ' B' ' 78' ' ' VAL . 92.3 t80 -63.09 -42.07 99.53 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 1.023 HG12 ' HB1' ' A' ' 79' ' ' ALA . 73.5 t -59.51 -42.23 87.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.304 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 73.6 t -64.22 -43.15 97.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.381 -0.527 . . . . 0.0 111.302 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.567 HD13 ' O ' ' B' ' 77' ' ' LEU . 0.2 OUTLIER -64.27 -40.1 95.28 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.983 0.421 . . . . 0.0 110.394 -178.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.59 HG21 ' CE2' ' B' ' 74' ' ' TYR . 54.8 t -61.19 -39.41 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.195 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 1.017 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -59.16 -38.89 80.81 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.744 -0.383 . . . . 0.0 112.027 -177.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.07 -43.72 74.02 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.829 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.544 ' N ' ' CD2' ' B' ' 81' ' ' LEU . 0.6 OUTLIER -67.92 -38.93 83.49 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -178.873 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.474 HG22 ' O ' ' B' ' 78' ' ' VAL . 1.4 t -58.95 -43.1 91.22 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 119.206 -0.998 . . . . 0.0 109.877 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' A' ' 75' ' ' VAL . 95.8 t -63.99 -41.14 91.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.166 0.507 . . . . 0.0 109.928 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -31.64 72.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.358 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 70.9 m -54.64 -35.82 63.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.864 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.37 -34.17 66.4 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.743 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 57.9 t30 . . . . . 0 C--O 1.226 -0.169 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.881 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 p . . . . . 0 CA--C 1.504 -0.818 0 CA-C-O 121.957 0.884 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' A' ' 3' ' ' GLU . 18.9 mt-10 -58.57 -32.35 68.84 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 113.804 -1.544 . . . . 0.0 111.268 -177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.443 HD23 HD13 ' B' ' 41' ' ' LEU . 42.7 tp -57.29 -41.72 80.35 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.437 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.503 ' OE2' ' O ' ' B' ' 40' ' ' GLU . 97.4 mt-10 -63.93 -39.27 93.77 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 119.626 -0.829 . . . . 0.0 109.598 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 m -64.74 -39.52 93.78 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.305 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.28 -48.16 71.31 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.811 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.442 ' SD ' HD21 ' B' ' 41' ' ' LEU . 47.1 mtm -57.68 -42.45 83.66 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 118.32 -1.352 . . . . 0.0 108.985 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.5 -38.42 87.19 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.131 -177.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.5 m -61.58 -43.0 99.66 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.8 -46.15 88.26 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 119.697 -0.801 . . . . 0.0 110.165 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.448 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 77.3 mt -64.01 -40.69 89.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.389 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -60.25 -40.34 89.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.243 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.584 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 33.9 m -78.96 -47.3 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 119.414 -0.914 . . . . 0.0 112.659 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.434 ' N ' HG23 ' A' ' 14' ' ' VAL . 65.1 m-85 -65.59 -38.71 90.27 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 119.438 -0.905 . . . . 0.0 111.153 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.448 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 37.6 t-80 -59.88 -44.94 93.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.626 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.67 -51.7 39.1 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.82 ' CG ' HD21 ' A' ' 36' ' ' LEU . 53.1 m80 -61.52 -43.31 99.09 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.0 m -58.41 -35.26 71.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 111.568 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.11 -28.55 58.63 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.539 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -56.5 -40.27 74.69 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.358 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.514 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.1 mt-10 -143.83 138.55 28.75 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.891 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.91 -166.14 54.73 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -72.14 145.94 47.77 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.948 0.404 . . . . 0.0 110.072 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -59.3 -35.55 73.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.737 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -88.17 -4.55 58.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.133 -177.437 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.618 ' HZ1' ' CD ' ' A' ' 68' ' ' GLU . 19.9 tptm -114.61 131.25 56.76 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.374 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.512 ' O ' ' O ' ' A' ' 69' ' ' VAL . 25.4 mt -99.3 135.13 41.16 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.519 0.676 . . . . 0.0 111.637 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.9 p -101.85 160.91 14.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.464 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.39 -39.24 69.9 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.446 -0.901 . . . . 0.0 110.255 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -62.37 -53.2 58.4 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.754 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.0 mt-10 -63.82 -41.03 97.95 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.713 -176.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.554 HD21 ' CD1' ' A' ' 61' ' ' LEU . 55.4 tp -63.86 -45.84 87.66 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.829 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.539 ' HZ1' ' CD ' ' A' ' 38' ' ' GLN . 17.7 tptp -60.78 -42.16 96.98 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 121.845 0.831 . . . . 0.0 110.97 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 39' ' ' THR . 78.4 mm-40 -70.06 -38.16 75.7 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 114.672 -1.149 . . . . 0.0 112.289 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.82 HD21 ' CG ' ' A' ' 18' ' ' HIS . 65.2 mt -68.19 -45.94 72.04 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.656 -0.818 . . . . 0.0 112.204 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.432 HD21 ' OH ' ' A' ' 74' ' ' TYR . 71.7 mt -69.62 -44.98 69.56 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.492 -0.883 . . . . 0.0 110.639 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.539 ' CD ' ' HZ1' ' A' ' 34' ' ' LYS . 20.0 tt0 -64.69 -41.9 95.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.903 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.3 t -81.84 -47.17 13.15 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.936 -0.706 . . . . 0.0 112.402 -178.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.746 ' C ' HD12 ' A' ' 41' ' ' LEU . 75.9 mm-40 -72.91 -34.68 66.79 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 119.603 -0.839 . . . . 0.0 111.297 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.746 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.9 mp -123.98 58.06 1.19 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.752 0.311 . . . . 0.0 110.529 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.8 m -55.16 -32.77 62.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.639 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.4 -68.36 1.4 Allowed Glycine 0 CA--C 1.53 1.01 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.272 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -58.28 -43.44 87.98 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 47' ' ' ALA . 1.5 mm? -91.35 -3.63 56.57 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.4 t0 -22.58 75.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.672 0.607 . . . . 0.0 112.435 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.697 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -68.79 -20.42 64.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.061 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -55.43 -35.16 65.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.686 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.506 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 52.2 mtmt -58.49 -35.66 72.56 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.056 -0.658 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.5 m-20 -140.01 94.12 2.72 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.1 t -59.49 -44.65 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.188 0.518 . . . . 0.0 111.402 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.25 -33.73 71.38 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.49 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.23 -28.65 65.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.944 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.58 -44.8 81.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.205 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 58' ' ' MET . 90.0 m-20 -62.26 -40.96 97.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.374 0.607 . . . . 0.0 110.245 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -59.46 -39.49 83.84 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.618 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.4 t -67.59 -45.24 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.96 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.564 ' SD ' ' C ' ' A' ' 58' ' ' MET . 2.1 ppp? -62.68 -37.69 87.44 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.838 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -57.0 -38.3 72.88 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 118.368 -1.333 . . . . 0.0 108.978 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -65.99 -36.38 83.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.044 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.746 HD23 HD12 ' A' ' 77' ' ' LEU . 75.4 mt -66.48 -37.74 85.76 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.24 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.501 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 38.6 t0 -84.49 100.06 11.11 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.173 -1.011 . . . . 0.0 112.657 -178.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -69.58 -39.69 77.17 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.504 0.668 . . . . 0.0 110.776 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.488 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 22.9 m120 -59.78 -36.73 77.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.634 -1.166 . . . . 0.0 112.321 -177.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.0 3.99 69.61 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.642 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.7 p30 -62.35 -31.45 72.08 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 114.312 -0.944 . . . . 0.0 112.172 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.642 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 100.45 -4.74 56.9 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.618 ' CD ' ' HZ1' ' A' ' 27' ' ' LYS . 80.6 tt0 -116.84 143.35 45.79 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.292 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.512 ' O ' ' O ' ' A' ' 28' ' ' LEU . 53.2 t -106.33 134.58 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.5 0.667 . . . . 0.0 112.339 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.2 t0 -105.82 151.95 23.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.408 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 81.4 t80 -53.17 -41.46 65.23 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.048 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.529 ' O ' HG22 ' A' ' 75' ' ' VAL . 63.2 tt0 -58.14 -41.55 83.93 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.225 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.488 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 97.8 mt-10 -68.48 -40.24 81.05 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.473 0.654 . . . . 0.0 110.984 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.432 ' OH ' HD21 ' A' ' 37' ' ' LEU . 90.4 t80 -62.74 -40.56 97.6 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 72' ' ' GLN . 33.5 m -64.3 -32.77 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.95 -50.46 77.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 118.746 -1.182 . . . . 0.0 111.883 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.746 HD12 HD23 ' A' ' 61' ' ' LEU . 50.9 mt -76.11 -35.66 59.21 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 p -55.49 -34.83 35.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 119.325 -0.95 . . . . 0.0 110.333 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.432 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.08 -37.89 81.25 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.57 -40.55 76.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.509 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.87 -39.48 94.57 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.543 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.556 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -61.35 -41.62 97.35 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 119.26 -0.976 . . . . 0.0 109.686 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.2 t -62.37 -41.59 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.27 -30.31 71.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.059 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -54.89 -36.04 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.177 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.448 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 41.6 m-20 -57.13 -34.65 68.61 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.457 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.762 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.8 p . . . . . 0 CA--C 1.504 -0.805 0 CA-C-O 122.056 0.931 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -58.55 -32.39 68.86 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.269 -177.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.438 HD23 HD13 ' A' ' 41' ' ' LEU . 42.7 tp -57.31 -41.68 80.36 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.49 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' A' ' 40' ' ' GLU . 97.4 mt-10 -63.98 -39.19 93.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.667 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' B' ' 10' ' ' THR . 45.9 m -64.75 -39.56 93.83 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.394 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.3 71.2 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.743 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.45 ' SD ' HD21 ' A' ' 41' ' ' LEU . 47.2 mtm -57.63 -42.49 83.48 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 118.328 -1.349 . . . . 0.0 108.996 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.44 -38.46 87.46 Favored 'General case' 0 N--CA 1.436 -1.125 0 CA-C-N 113.792 -1.549 . . . . 0.0 110.186 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 6' ' ' THR . 45.9 m -61.51 -42.98 99.62 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.212 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.0 mt -58.87 -46.15 88.47 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.107 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' B' ' 16' ' ' HIS . 77.2 mt -64.05 -40.6 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.471 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -60.35 -40.33 90.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.192 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.59 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 33.8 m -78.99 -47.2 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.653 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.446 ' N ' HG23 ' B' ' 14' ' ' VAL . 65.3 m-85 -65.67 -38.74 90.14 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 119.506 -0.878 . . . . 0.0 111.087 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.446 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 37.5 t-80 -59.99 -44.72 94.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.568 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.85 -51.62 38.56 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.818 ' CG ' HD21 ' B' ' 36' ' ' LEU . 53.0 m80 -61.7 -43.29 99.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.0 m -58.34 -35.34 71.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.856 0.36 . . . . 0.0 111.576 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.0 -28.55 58.32 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.65 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -56.52 -40.3 74.82 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.376 -178.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.504 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.1 mt-10 -143.81 138.5 28.76 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.916 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.89 -166.13 54.72 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -72.09 145.91 47.87 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.906 0.384 . . . . 0.0 110.042 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -59.29 -35.49 73.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.757 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.555 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 1.0 OUTLIER -88.23 -4.54 58.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.061 -177.348 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.621 ' HZ1' ' CD ' ' B' ' 68' ' ' GLU . 19.9 tptm -114.65 131.25 56.79 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.346 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.514 ' O ' ' O ' ' B' ' 69' ' ' VAL . 25.7 mt -99.26 135.05 41.23 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.481 0.658 . . . . 0.0 111.67 178.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.6 p -101.69 160.93 14.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.603 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.4 -39.31 70.02 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.531 -0.868 . . . . 0.0 110.197 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -62.38 -53.18 58.76 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.73 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.504 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.0 mt-10 -63.8 -41.11 97.97 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 119.352 -0.939 . . . . 0.0 110.608 -176.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.554 HD21 ' CD1' ' B' ' 61' ' ' LEU . 55.6 tp -63.95 -45.72 87.89 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.8 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.484 ' NZ ' ' CD ' ' B' ' 38' ' ' GLN . 17.8 tptp -60.86 -42.05 97.09 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 121.877 0.846 . . . . 0.0 111.035 178.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.415 ' O ' HG22 ' B' ' 39' ' ' THR . 78.3 mm-40 -70.0 -38.23 75.92 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 114.696 -1.138 . . . . 0.0 112.349 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.818 HD21 ' CG ' ' B' ' 18' ' ' HIS . 65.6 mt -68.25 -45.85 72.07 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.605 -0.838 . . . . 0.0 112.244 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.432 HD21 ' OH ' ' B' ' 74' ' ' TYR . 71.9 mt -69.59 -45.1 69.4 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.653 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.484 ' CD ' ' NZ ' ' B' ' 34' ' ' LYS . 20.0 tt0 -64.58 -41.92 95.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.969 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.3 t -81.85 -47.05 13.28 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.857 -0.737 . . . . 0.0 112.487 -178.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.744 ' C ' HD12 ' B' ' 41' ' ' LEU . 75.9 mm-40 -72.95 -34.72 66.7 Favored 'General case' 0 N--CA 1.46 0.072 0 C-N-CA 119.66 -0.816 . . . . 0.0 111.251 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.744 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.9 mp -123.93 58.01 1.18 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.716 0.293 . . . . 0.0 110.558 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 24.0 m -55.19 -32.79 62.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.638 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.3 -68.35 1.41 Allowed Glycine 0 CA--C 1.53 0.98 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.341 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -58.35 -43.36 88.29 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' B' ' 47' ' ' ALA . 1.5 mm? -91.43 -3.6 56.48 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.3 t0 -22.5 75.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.642 0.589 . . . . 0.0 112.562 -177.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.698 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -68.83 -20.4 64.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.041 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -55.53 -35.03 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.72 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.504 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 52.1 mtmt -58.54 -35.67 72.68 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.004 -0.678 . . . . 0.0 111.183 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 91.4 m-20 -139.94 94.21 2.74 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 40.1 t -59.52 -44.61 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 111.403 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.27 -33.83 71.53 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.422 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.14 -28.68 64.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.933 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.61 -44.81 81.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.117 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.417 ' O ' ' HG3' ' B' ' 58' ' ' MET . 89.9 m-20 -62.26 -40.96 97.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.42 0.629 . . . . 0.0 110.276 178.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -59.41 -39.56 83.84 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.688 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 68.9 t -67.49 -45.24 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.038 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.554 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.0 ppp? -62.61 -37.78 87.59 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.04 -0.664 . . . . 0.0 111.812 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -57.04 -38.36 73.1 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 118.327 -1.349 . . . . 0.0 108.931 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.93 -36.29 82.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.092 177.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.749 HD23 HD12 ' B' ' 77' ' ' LEU . 75.5 mt -66.65 -37.55 85.03 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.296 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.484 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 38.5 t0 -84.51 100.06 11.12 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.122 -1.031 . . . . 0.0 112.669 -178.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -69.53 -39.77 77.28 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.558 0.694 . . . . 0.0 110.762 176.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.484 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 22.9 m120 -59.79 -36.68 77.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.297 -177.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.99 3.95 69.69 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 108.282 -1.927 . . . . 0.0 108.282 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.641 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.8 p30 -62.36 -31.46 72.11 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 114.328 -0.936 . . . . 0.0 112.104 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.641 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 100.41 -4.55 56.89 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.621 ' CD ' ' HZ1' ' B' ' 27' ' ' LYS . 80.8 tt0 -116.95 143.4 45.76 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' B' ' 28' ' ' LEU . 52.6 t -106.38 134.47 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.51 0.671 . . . . 0.0 112.302 -178.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.3 t0 -105.79 152.05 23.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.385 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.517 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 81.4 t80 -53.23 -41.51 65.48 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.061 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.529 ' O ' HG22 ' B' ' 75' ' ' VAL . 63.2 tt0 -58.08 -41.57 83.7 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.239 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.484 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 97.8 mt-10 -68.47 -40.21 81.1 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.392 0.615 . . . . 0.0 111.05 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.432 ' OH ' HD21 ' B' ' 37' ' ' LEU . 90.3 t80 -62.81 -40.43 97.35 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.529 HG22 ' O ' ' B' ' 72' ' ' GLN . 33.6 m -64.38 -32.73 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.9 -50.47 77.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 118.809 -1.157 . . . . 0.0 111.887 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.749 HD12 HD23 ' B' ' 61' ' ' LEU . 50.7 mt -76.27 -35.58 58.85 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 p -55.26 -35.0 34.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 119.414 -0.915 . . . . 0.0 110.394 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.434 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.07 -37.91 81.3 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.54 -40.56 76.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.454 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.84 -39.48 94.49 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.563 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.0 OUTLIER -61.39 -41.54 97.3 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 119.106 -1.038 . . . . 0.0 109.724 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.44 -41.51 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.28 -30.37 71.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.988 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.563 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -54.88 -35.98 64.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.196 -179.579 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.443 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 41.7 m-20 -57.13 -34.7 68.66 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.429 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.683 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.82 0.343 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.64 -34.74 76.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.319 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.549 HD23 HD11 ' B' ' 41' ' ' LEU . 31.5 tp -58.81 -39.55 81.52 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.033 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.18 -40.65 86.3 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 119.371 -0.932 . . . . 0.0 108.607 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.9 m -65.96 -37.59 86.38 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.955 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.96 83.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.866 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.5 mtm -58.47 -40.42 82.65 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 118.949 -1.1 . . . . 0.0 109.103 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.426 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 97.8 mt-10 -66.87 -36.55 82.58 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.205 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.871 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.8 m -61.54 -43.3 99.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.106 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.83 -46.19 90.55 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 120.091 -0.643 . . . . 0.0 111.203 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.66 -43.33 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.742 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 22.1 m120 -59.58 -38.19 80.52 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.933 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 10' ' ' THR . 95.8 t -65.05 -43.84 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 90.2 t80 -59.99 -46.55 89.1 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.023 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -60.61 -40.17 90.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.045 0.45 . . . . 0.0 111.002 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.99 98.97 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.776 ' HB2' HD21 ' A' ' 36' ' ' LEU . 96.0 m-70 -103.38 -42.22 5.78 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -177.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -61.31 -32.59 72.45 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.096 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.79 -31.98 80.13 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.512 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -58.05 -36.75 73.23 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.52 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 78.1 mm-40 -127.61 147.81 50.36 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.696 0.76 . . . . 0.0 112.972 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.3 -141.58 43.72 Favored Glycine 0 CA--C 1.521 0.451 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.813 177.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -83.21 128.95 34.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.479 -0.861 . . . . 0.0 110.422 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -56.31 -38.7 71.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.566 0.698 . . . . 0.0 110.056 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.582 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 3.2 m-30 -74.19 -20.41 60.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.466 -1.243 . . . . 0.0 113.014 -176.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -113.89 144.89 42.28 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.884 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.529 ' O ' ' O ' ' A' ' 69' ' ' VAL . 4.9 tt -102.5 128.55 49.08 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.509 ' N ' HD23 ' A' ' 28' ' ' LEU . 84.2 p -102.16 159.78 15.09 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.971 0.415 . . . . 0.0 111.454 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -54.45 -39.07 67.07 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.577 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -60.19 -49.75 76.41 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.847 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 98.5 mt-10 -62.49 -38.16 88.79 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.261 -177.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.7 tp -62.9 -44.07 97.08 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.48 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.534 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 4.8 tptp -59.39 -41.53 89.59 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.613 178.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 39' ' ' THR . 78.3 mm-40 -71.24 -40.72 70.85 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.702 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.776 HD21 ' HB2' ' A' ' 18' ' ' HIS . 95.0 mt -64.4 -47.93 77.32 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.288 -0.965 . . . . 0.0 111.903 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.592 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 5.5 mp -70.65 -42.78 70.38 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.698 -0.801 . . . . 0.0 112.09 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.534 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.0 tt0 -62.56 -41.73 99.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.4 t -86.61 -45.72 10.77 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.646 -0.822 . . . . 0.0 112.562 -179.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.615 ' C ' HD12 ' A' ' 41' ' ' LEU . 95.8 mt-10 -73.67 -33.53 64.49 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 120.236 -0.586 . . . . 0.0 112.494 -177.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.615 HD12 ' C ' ' A' ' 40' ' ' GLU . 7.2 mp -120.54 43.48 2.73 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.053 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.8 p -57.11 -24.7 55.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.682 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.43 -69.12 1.31 Allowed Glycine 0 CA--C 1.533 1.208 0 C-N-CA 121.193 -0.527 . . . . 0.0 111.907 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.97 -43.13 86.29 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.586 HD13 HD23 ' A' ' 41' ' ' LEU . 8.8 mp -94.03 -0.31 55.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.571 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 53.2 p30 -20.93 120.77 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 122.402 1.096 . . . . 0.0 112.798 -177.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.605 ' O ' HG22 ' A' ' 51' ' ' VAL . . . -66.18 -18.24 65.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.013 -1.448 . . . . 0.0 112.215 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.34 -34.99 62.23 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.109 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -112.43 141.14 46.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 56.28 50.93 12.39 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.222 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 47' ' ' ALA . 61.3 t -53.12 -37.48 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.682 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.44 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 49.4 p30 -78.93 9.57 4.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.785 0.326 . . . . 0.0 110.987 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.499 ' O ' HG13 ' A' ' 57' ' ' VAL . . . -59.95 -30.8 69.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.151 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.53 HG21 ' HD3' ' A' ' 34' ' ' LYS . 78.0 t -57.62 -47.82 84.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.344 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -65.8 -43.62 88.13 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.734 0.778 . . . . 0.0 110.736 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 21.0 mtmm -59.0 -40.79 85.99 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.912 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 53' ' ' ALA . 15.8 m -76.56 -37.09 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.217 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.581 ' SD ' ' C ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -59.56 -39.33 83.68 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.247 179.717 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 58' ' ' MET . 68.5 mttm -58.15 -38.51 76.73 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 118.823 -1.151 . . . . 0.0 109.707 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.44 -37.1 85.89 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.141 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.621 HD21 HD22 ' A' ' 77' ' ' LEU . 59.1 mt -67.03 -35.6 80.24 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.407 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.617 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 48.7 t0 -70.77 82.43 0.63 Allowed 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.985 -177.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.73 -38.18 88.44 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.174 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.462 ' ND2' ' OD2' ' A' ' 66' ' ' ASP . 33.2 p-10 -89.05 1.54 55.4 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.118 -0.633 . . . . 0.0 112.468 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.473 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 74.22 27.17 66.61 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.254 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.617 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 55.2 p30 -104.95 155.18 19.18 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 122.291 1.043 . . . . 0.0 110.048 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.8 -28.28 62.93 Favored Glycine 0 C--N 1.298 -1.577 0 CA-C-N 113.828 -1.533 . . . . 0.0 112.287 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.528 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 42.3 tp10 -95.37 146.62 24.26 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.502 0.668 . . . . 0.0 111.945 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.529 ' O ' ' O ' ' A' ' 28' ' ' LEU . 47.0 t -110.31 135.26 49.92 Favored 'Isoleucine or valine' 0 C--N 1.338 0.093 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.243 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 56.9 t0 -99.06 145.39 27.16 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.431 0.634 . . . . 0.0 111.401 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.559 ' CE2' ' CG2' ' A' ' 75' ' ' VAL . 90.0 t80 -52.24 -39.81 60.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.892 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -56.84 -40.62 76.41 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.859 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.487 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 99.6 mt-10 -65.95 -41.98 90.55 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.448 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.582 ' CZ ' ' CG2' ' A' ' 78' ' ' VAL . 82.2 t80 -64.85 -41.31 95.81 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.988 HG12 ' HB1' ' B' ' 79' ' ' ALA . 78.8 t -58.29 -40.96 79.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.181 -0.608 . . . . 0.0 111.519 -177.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.21 -43.54 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.597 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.621 HD22 HD21 ' A' ' 61' ' ' LEU . 29.3 tp -63.86 -39.83 95.13 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.816 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.595 ' O ' HG22 ' A' ' 82' ' ' THR . 53.1 t -58.71 -40.29 79.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.887 -179.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 1.018 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -60.3 -39.54 87.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.106 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.29 -43.87 66.29 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.366 -0.534 . . . . 0.0 111.704 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.92 -40.03 94.43 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 78' ' ' VAL . 1.6 t -62.2 -42.6 99.44 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.763 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.465 HG23 HG11 ' B' ' 75' ' ' VAL . 89.6 t -63.9 -41.52 92.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.882 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.93 -33.33 75.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.1 m -56.21 -35.83 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.424 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.33 -34.6 66.73 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.312 0.577 . . . . 0.0 110.195 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 48.0 t30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.435 -179.527 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.848 0.356 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.6 -34.8 76.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.264 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.564 HD23 HD11 ' A' ' 41' ' ' LEU . 31.4 tp -58.72 -39.54 81.12 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.107 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.24 -40.58 86.39 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 119.4 -0.92 . . . . 0.0 108.661 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.3 m -65.93 -37.66 86.63 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.967 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.36 -47.02 83.86 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.829 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.3 mtm -58.52 -40.55 83.21 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.032 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.432 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 97.8 mt-10 -66.7 -36.59 82.86 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.306 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.845 ' O ' HG23 ' B' ' 14' ' ' VAL . 44.9 m -61.49 -43.39 98.94 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.052 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.82 -46.18 90.62 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.467 0.651 . . . . 0.0 111.208 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.2 mt -65.68 -43.4 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.68 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 22.1 m120 -59.52 -38.19 80.33 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.892 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.845 HG23 ' O ' ' B' ' 10' ' ' THR . 96.1 t -64.99 -43.84 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 90.1 t80 -60.04 -46.42 89.57 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.112 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -60.69 -40.14 91.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.101 0.476 . . . . 0.0 110.955 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -40.98 99.09 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.759 ' HB2' HD21 ' B' ' 36' ' ' LEU . 96.0 m-70 -103.36 -42.23 5.78 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 -177.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 85.2 p -61.14 -32.66 72.36 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.176 -178.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.79 -32.04 80.34 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.473 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.09 -36.71 73.24 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.523 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 78.0 mm-40 -127.63 147.75 50.37 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.749 0.785 . . . . 0.0 112.957 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.39 -141.61 43.85 Favored Glycine 0 CA--C 1.521 0.425 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.801 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -83.24 129.02 34.98 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.498 -0.851 . . . . 0.0 110.396 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -56.35 -38.6 71.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.596 0.712 . . . . 0.0 110.123 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.576 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 3.2 m-30 -74.25 -20.38 60.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.395 -1.275 . . . . 0.0 113.017 -176.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -113.98 144.84 42.42 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.524 ' O ' ' O ' ' B' ' 69' ' ' VAL . 4.8 tt -102.44 128.54 49.0 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.515 ' N ' HD23 ' B' ' 28' ' ' LEU . 84.2 p -102.09 159.8 15.06 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.956 0.408 . . . . 0.0 111.477 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -54.58 -38.93 67.29 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.528 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -60.3 -49.76 76.3 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.784 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.523 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 98.5 mt-10 -62.55 -38.06 88.58 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.254 -177.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.402 HD11 ' CE1' ' B' ' 74' ' ' TYR . 50.7 tp -62.98 -44.07 97.05 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.464 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.571 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 4.9 tptp -59.35 -41.48 89.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.642 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.433 ' O ' HG22 ' B' ' 39' ' ' THR . 78.3 mm-40 -71.33 -40.62 70.63 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.688 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.759 HD21 ' HB2' ' B' ' 18' ' ' HIS . 95.0 mt -64.41 -47.99 77.09 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 119.325 -0.95 . . . . 0.0 111.923 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.591 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 5.6 mp -70.67 -42.76 70.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.776 -0.77 . . . . 0.0 112.031 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.571 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.0 tt0 -62.6 -41.67 99.12 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.4 t -86.66 -45.63 10.82 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.62 -0.832 . . . . 0.0 112.54 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.603 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.9 mt-10 -73.77 -33.6 64.32 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.4 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.603 HD12 ' C ' ' B' ' 40' ' ' GLU . 7.2 mp -120.46 43.47 2.72 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.155 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -57.09 -24.66 55.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.716 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.36 -69.25 1.31 Allowed Glycine 0 CA--C 1.533 1.182 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.911 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.88 -43.16 85.87 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.595 HD13 HD23 ' B' ' 41' ' ' LEU . 8.9 mp -94.11 -0.26 55.43 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.584 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 53.1 p30 -20.9 120.74 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 122.422 1.106 . . . . 0.0 112.807 -177.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.616 ' O ' HG22 ' B' ' 51' ' ' VAL . . . -66.24 -18.15 65.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 113.953 -1.476 . . . . 0.0 112.22 -179.097 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.42 -34.89 62.22 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.109 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -112.45 141.15 46.53 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 56.32 50.93 12.33 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.182 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.616 HG22 ' O ' ' B' ' 47' ' ' ALA . 61.9 t -53.13 -37.47 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.758 -178.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.454 ' OD1' ' C ' ' B' ' 52' ' ' ASP . 49.4 p30 -78.91 9.5 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.802 0.334 . . . . 0.0 111.003 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.487 ' O ' HG13 ' B' ' 57' ' ' VAL . . . -59.92 -30.7 69.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.168 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.511 HG21 ' HD3' ' B' ' 34' ' ' LYS . 76.1 t -57.81 -47.64 85.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.27 -177.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -65.91 -43.59 87.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.714 0.769 . . . . 0.0 110.669 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.437 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 21.0 mtmm -59.08 -40.77 86.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.867 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.487 HG13 ' O ' ' B' ' 53' ' ' ALA . 15.7 m -76.52 -37.18 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 C-N-CA 119.243 -0.983 . . . . 0.0 111.275 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.579 ' C ' ' SD ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -59.5 -39.29 83.32 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 119.221 -0.992 . . . . 0.0 110.28 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' B' ' 58' ' ' MET . 68.6 mttm -58.28 -38.38 76.86 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 118.797 -1.161 . . . . 0.0 109.72 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.41 -37.19 86.21 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.207 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.617 HD21 HD22 ' B' ' 77' ' ' LEU . 59.0 mt -66.94 -35.62 80.39 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.455 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.627 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 48.6 t0 -70.77 82.46 0.63 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.348 -0.941 . . . . 0.0 111.003 -177.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.81 -38.2 88.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.086 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.498 ' ND2' ' OD2' ' B' ' 66' ' ' ASP . 33.3 p-10 -89.02 1.5 55.43 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.107 -0.637 . . . . 0.0 112.503 -178.013 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.46 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 74.27 27.15 66.54 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.232 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.627 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 55.2 p30 -105.03 155.21 19.18 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 122.25 1.024 . . . . 0.0 110.066 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.84 -28.26 63.0 Favored Glycine 0 C--N 1.298 -1.568 0 CA-C-N 113.842 -1.526 . . . . 0.0 112.239 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.534 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 42.3 tp10 -95.37 146.6 24.27 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.534 0.683 . . . . 0.0 111.9 -177.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.524 ' O ' ' O ' ' B' ' 28' ' ' LEU . 46.8 t -110.3 135.27 49.85 Favored 'Isoleucine or valine' 0 C--N 1.339 0.131 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.28 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 56.9 t0 -99.07 145.3 27.27 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.476 0.655 . . . . 0.0 111.417 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.559 ' CE2' ' CG2' ' B' ' 75' ' ' VAL . 89.9 t80 -52.02 -39.91 60.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.967 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -56.83 -40.63 76.4 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.857 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.477 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 99.6 mt-10 -65.98 -41.93 90.49 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.258 0.551 . . . . 0.0 110.478 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.58 ' CE2' ' CG2' ' B' ' 78' ' ' VAL . 82.6 t80 -64.86 -41.28 95.8 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 1.018 HG12 ' HB1' ' A' ' 79' ' ' ALA . 78.3 t -58.33 -40.86 79.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.549 -177.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.29 -43.54 96.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.535 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.617 HD22 HD21 ' B' ' 61' ' ' LEU . 29.4 tp -63.89 -39.88 95.23 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.716 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.594 ' O ' HG22 ' B' ' 82' ' ' THR . 53.1 t -58.72 -40.29 79.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.855 -179.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.988 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -60.39 -39.52 87.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.994 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.18 -43.88 66.57 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.744 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 81' ' ' LEU . 75.0 mt -64.93 -40.09 94.51 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.594 HG22 ' O ' ' B' ' 78' ' ' VAL . 1.6 t -62.17 -42.56 99.38 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.226 -0.99 . . . . 0.0 109.808 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.472 HG23 HG11 ' A' ' 75' ' ' VAL . 89.3 t -63.97 -41.47 92.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.922 178.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.29 75.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.135 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 73.2 m -56.29 -35.75 67.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.31 -34.62 66.68 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.338 0.59 . . . . 0.0 110.238 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 48.0 t30 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.493 -179.536 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.418 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 50.7 m . . . . . 0 N--CA 1.462 0.138 0 CA-C-O 120.774 0.321 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.48 -38.37 90.87 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.412 ' HB2' HG11 ' B' ' 14' ' ' VAL . 31.1 tp -62.27 -39.5 93.11 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.56 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.82 -40.75 89.49 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 119.693 -0.803 . . . . 0.0 108.903 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -65.03 -37.8 88.81 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.38 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.53 99.35 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.023 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.548 ' SD ' HD21 ' B' ' 41' ' ' LEU . 54.5 mtm -57.34 -40.44 78.01 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 118.348 -1.341 . . . . 0.0 108.542 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 98.0 mt-10 -67.3 -37.14 82.89 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.682 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.6 m -61.24 -42.82 99.28 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.231 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.47 -45.66 92.9 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.787 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.78 -41.42 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.637 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 25.5 m120 -60.03 -39.29 85.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.641 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' THR . 72.3 t -66.99 -42.86 89.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.688 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 76.6 t80 -58.63 -49.14 78.58 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.231 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -62.67 -40.21 96.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.573 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.56 -43.97 97.5 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.636 ' HB2' HD21 ' A' ' 36' ' ' LEU . 34.7 m80 -101.05 -32.13 10.75 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -177.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.714 ' OG ' HD21 ' A' ' 28' ' ' LEU . 14.5 m -62.64 -38.94 92.26 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.559 -0.856 . . . . 0.0 111.942 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.79 -28.89 72.47 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 115.85 1.1 . . . . 0.0 115.85 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 18' ' ' HIS . 51.9 pttt -56.17 -42.78 77.58 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.609 1.205 . . . . 0.0 112.475 -176.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.577 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 97.9 mt-10 -137.15 149.83 47.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.4 0.619 . . . . 0.0 112.064 178.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.87 -157.99 53.64 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.623 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -79.23 133.84 36.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.926 -0.637 . . . . 0.0 109.52 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -56.65 -38.7 72.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.938 0.875 . . . . 0.0 109.606 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.525 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 59.6 m-85 -70.85 -24.12 62.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.976 -1.465 . . . . 0.0 113.537 -178.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -114.27 142.88 45.72 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.714 HD21 ' OG ' ' A' ' 19' ' ' SER . 95.7 mt -100.42 134.55 43.2 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.352 -1.295 . . . . 0.0 108.349 175.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -94.39 161.09 14.38 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -51.52 -39.98 58.73 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.004 -1.078 . . . . 0.0 108.925 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -62.24 -51.11 69.06 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.154 -0.618 . . . . 0.0 112.227 177.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.577 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.7 mt-10 -64.1 -40.44 96.21 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.582 0.706 . . . . 0.0 111.065 -175.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -64.81 -41.18 95.98 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.394 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HD3' HG21 ' A' ' 54' ' ' VAL . 15.8 tptm -60.56 -44.8 95.76 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 114.547 -1.206 . . . . 0.0 111.206 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.417 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -68.17 -37.33 80.88 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.774 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 18' ' ' HIS . 93.1 mt -65.85 -46.91 76.77 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 119.054 -1.059 . . . . 0.0 111.676 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.6 mt -69.37 -42.13 75.59 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.836 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.9 -41.66 97.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.492 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.2 t -83.53 -45.63 13.35 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.344 -0.542 . . . . 0.0 112.369 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.627 ' C ' HD12 ' A' ' 41' ' ' LEU . 76.3 mm-40 -71.48 -35.19 70.73 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.087 -178.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.63 HD23 HD13 ' A' ' 45' ' ' LEU . 7.7 mp -124.28 48.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -55.33 -33.05 63.0 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.351 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.05 -62.41 1.67 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.404 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -58.63 -44.88 90.14 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.695 ' O ' ' N ' ' A' ' 47' ' ' ALA . 7.5 mp -96.08 -1.78 48.0 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.531 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 53.9 p30 -18.88 75.74 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 122.013 0.911 . . . . 0.0 112.595 -177.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.695 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -67.85 -15.67 63.73 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 114.264 -1.335 . . . . 0.0 111.816 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -53.98 -35.91 62.34 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.044 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 92.3 mttt -59.59 -36.69 76.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.491 0.662 . . . . 0.0 109.595 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 88.5 m-20 -136.53 89.74 2.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.053 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.15 -43.66 93.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.305 0.574 . . . . 0.0 111.487 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -58.23 -32.8 68.66 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.637 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.1 -30.46 62.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.637 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.43 HG21 ' HD3' ' A' ' 34' ' ' LYS . 53.2 t -57.71 -43.65 84.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.388 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.62 -40.42 91.82 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.617 0.722 . . . . 0.0 109.588 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt -61.01 -39.29 89.15 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.854 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.16 -45.87 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.047 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.473 ' SD ' ' C ' ' A' ' 58' ' ' MET . 1.8 ppp? -64.55 -35.61 81.53 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.998 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 58' ' ' MET . 82.9 tttt -57.73 -41.06 81.06 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.773 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.2 -36.4 84.05 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.352 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.767 HD21 HD22 ' A' ' 77' ' ' LEU . 88.4 mt -66.41 -36.45 82.85 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.536 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.512 ' OD1' ' OD1' ' A' ' 64' ' ' ASN . 49.9 t0 -79.66 98.38 6.92 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.032 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -77.38 -34.86 54.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.729 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.512 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 44.3 p-10 -90.7 0.89 57.26 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.445 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 70.61 13.8 71.79 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.896 178.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.647 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.4 p30 -62.06 -33.47 74.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.647 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.51 -6.32 65.31 Favored Glycine 0 C--N 1.321 -0.26 0 N-CA-C 108.995 -1.642 . . . . 0.0 108.995 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 82.3 tt0 -111.68 141.87 44.74 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.7 t -105.14 132.8 51.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.494 0.664 . . . . 0.0 111.172 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.4 t0 -98.64 147.53 24.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.924 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.688 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 52.4 t80 -51.69 -37.71 51.85 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -59.01 -38.36 79.07 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.039 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 98.4 mt-10 -68.71 -42.29 77.89 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.46 0.647 . . . . 0.0 110.512 178.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -66.3 -43.0 87.51 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 71' ' ' PHE . 30.6 m -65.2 -36.7 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -177.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.94 -40.37 78.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 118.616 -1.233 . . . . 0.0 110.722 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.767 HD22 HD21 ' A' ' 61' ' ' LEU . 25.1 tp -67.73 -41.77 82.94 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.39 -0.524 . . . . 0.0 112.368 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.6 p -59.19 -35.37 57.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 C-N-CA 119.713 -0.795 . . . . 0.0 111.369 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.4 -38.12 82.99 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.084 0.469 . . . . 0.0 110.002 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.03 -41.36 74.36 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.864 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.593 HD13 HD21 ' A' ' 45' ' ' LEU . 70.1 mt -63.47 -39.24 93.95 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.2 t -59.35 -40.95 88.05 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.176 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.73 -40.28 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.29 75.07 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.7 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.0 m -54.46 -35.72 63.32 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.199 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -56.37 -34.8 67.0 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.363 0.601 . . . . 0.0 110.272 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.257 -179.471 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.41 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 50.8 m . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.782 0.325 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.32 -38.52 91.48 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.406 ' HB2' HG11 ' A' ' 14' ' ' VAL . 31.1 tp -62.23 -39.56 93.2 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 120.023 -0.671 . . . . 0.0 111.569 -178.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.74 -40.72 89.06 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.6 -0.84 . . . . 0.0 108.97 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.3 m -65.08 -37.64 88.18 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.467 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.57 99.41 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.047 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.551 ' SD ' HD21 ' A' ' 41' ' ' LEU . 54.2 mtm -57.26 -40.58 77.97 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 118.379 -1.329 . . . . 0.0 108.524 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.451 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 97.9 mt-10 -67.16 -37.23 83.4 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.739 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.679 ' O ' HG23 ' B' ' 14' ' ' VAL . 47.0 m -61.18 -42.85 99.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.228 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.46 -45.6 93.13 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.71 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.7 mt -65.91 -41.35 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.597 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.451 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 25.5 m120 -60.05 -39.35 85.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.626 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.679 HG23 ' O ' ' B' ' 10' ' ' THR . 71.4 t -66.88 -43.02 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 76.6 t80 -58.69 -49.01 79.16 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.25 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -62.64 -40.25 96.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.567 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.01 97.42 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -176.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.643 ' HB2' HD21 ' B' ' 36' ' ' LEU . 34.9 m80 -101.05 -32.22 10.71 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -177.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.705 ' OG ' HD21 ' B' ' 28' ' ' LEU . 14.5 m -62.51 -38.96 91.97 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.99 -178.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.89 -28.86 72.57 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 115.748 1.059 . . . . 0.0 115.748 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' B' ' 18' ' ' HIS . 52.0 pttt -56.23 -42.68 77.66 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 118.622 1.211 . . . . 0.0 112.496 -176.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.571 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 97.9 mt-10 -137.26 149.83 47.4 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.412 0.625 . . . . 0.0 112.067 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.89 -158.02 53.65 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.637 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -79.17 133.83 36.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.87 -0.665 . . . . 0.0 109.523 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -56.69 -38.68 72.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.924 0.869 . . . . 0.0 109.642 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.51 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 59.3 m-85 -70.83 -24.13 62.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.891 -1.504 . . . . 0.0 113.513 -178.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -114.28 142.84 45.77 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.705 HD21 ' OG ' ' B' ' 19' ' ' SER . 95.8 mt -100.49 134.61 43.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.342 -1.299 . . . . 0.0 108.274 175.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.3 t -94.48 160.93 14.43 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -51.43 -39.93 58.36 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 118.905 -1.118 . . . . 0.0 108.973 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -62.16 -51.16 68.95 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.216 -0.593 . . . . 0.0 112.197 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.571 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.7 mt-10 -64.18 -40.42 96.06 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.635 0.731 . . . . 0.0 110.983 -175.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -64.81 -41.15 96.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.402 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.427 ' HD3' HG21 ' B' ' 54' ' ' VAL . 15.9 tptm -60.59 -44.73 95.93 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.291 177.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.412 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -68.22 -37.34 80.73 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.77 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.643 HD21 ' HB2' ' B' ' 18' ' ' HIS . 93.1 mt -65.86 -46.88 76.83 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.685 178.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.401 ' HB3' HD23 ' B' ' 45' ' ' LEU . 75.1 mt -69.38 -42.07 75.66 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.826 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.92 -41.63 97.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.533 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.2 t -83.52 -45.7 13.28 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.357 -0.537 . . . . 0.0 112.365 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.634 ' C ' HD12 ' B' ' 41' ' ' LEU . 76.3 mm-40 -71.41 -35.26 70.93 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.107 -178.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.634 HD12 ' C ' ' B' ' 40' ' ' GLU . 7.7 mp -124.3 48.33 1.95 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -55.21 -33.22 62.87 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.305 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.01 -62.4 1.67 Allowed Glycine 0 CA--C 1.531 1.063 0 C-N-CA 120.989 -0.625 . . . . 0.0 112.331 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -58.73 -44.77 90.54 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.692 ' O ' ' N ' ' B' ' 47' ' ' ALA . 7.5 mp -96.13 -1.76 47.87 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.537 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 54.1 p30 -18.85 75.78 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 122.057 0.932 . . . . 0.0 112.62 -177.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.692 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -67.85 -15.75 63.77 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.806 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -53.94 -35.83 62.16 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.115 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.424 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 92.2 mttt -59.69 -36.59 76.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.526 0.679 . . . . 0.0 109.597 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 88.4 m-20 -136.53 89.74 2.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.078 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.09 -43.87 93.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.255 0.55 . . . . 0.0 111.441 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -58.16 -32.64 68.39 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.7 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.31 -30.36 62.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.547 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.427 HG21 ' HD3' ' B' ' 34' ' ' LYS . 53.0 t -57.74 -43.61 84.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.438 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' B' ' 58' ' ' MET . 90.0 m-20 -60.64 -40.38 91.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.579 0.704 . . . . 0.0 109.621 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -61.0 -39.26 89.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.88 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.15 -45.86 89.16 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.021 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.478 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -64.48 -35.74 81.92 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.924 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' B' ' 58' ' ' MET . 82.9 tttt -57.6 -41.03 80.4 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.812 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.31 -36.39 83.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.261 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.758 HD21 HD22 ' B' ' 77' ' ' LEU . 88.5 mt -66.44 -36.45 82.82 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.523 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.517 ' OD1' ' OD1' ' B' ' 64' ' ' ASN . 49.9 t0 -79.66 98.37 6.92 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.977 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -77.33 -34.94 55.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.76 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.517 ' OD1' ' OD1' ' B' ' 62' ' ' ASP . 44.1 p-10 -90.73 1.03 57.22 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.439 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 70.54 13.96 71.75 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.792 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.652 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.6 p30 -62.17 -33.44 74.52 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.652 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.58 -6.47 65.23 Favored Glycine 0 CA--C 1.518 0.244 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.468 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 82.2 tt0 -111.65 141.86 44.71 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 45.7 t -105.11 132.83 50.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.479 0.657 . . . . 0.0 111.172 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.5 t0 -98.75 147.48 24.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.822 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 52.2 t80 -51.62 -37.72 51.39 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -58.92 -38.42 78.89 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.065 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 98.5 mt-10 -68.69 -42.29 77.98 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.488 0.661 . . . . 0.0 110.495 178.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -66.36 -43.11 86.91 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.577 HG13 ' O ' ' B' ' 71' ' ' PHE . 30.5 m -65.16 -36.73 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.98 -40.33 78.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 C-N-CA 118.665 -1.214 . . . . 0.0 110.75 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.758 HD22 HD21 ' B' ' 61' ' ' LEU . 25.1 tp -67.8 -41.74 82.66 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.468 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.6 p -59.23 -35.33 57.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.354 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.439 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.39 -38.15 83.07 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.566 -0.453 . . . . 0.0 109.984 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.98 -41.31 74.61 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.883 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.607 HD13 HD21 ' B' ' 45' ' ' LEU . 70.1 mt -63.6 -39.16 93.66 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.2 t -59.31 -40.9 87.71 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.236 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.8 -40.25 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.3 75.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.724 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 71.0 m -54.51 -35.59 63.3 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.224 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -56.4 -34.89 67.16 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.386 0.612 . . . . 0.0 110.264 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.3 -179.453 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.431 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 40.1 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.803 0.335 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.19 -35.46 78.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.843 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.73 ' O ' HD23 ' A' ' 4' ' ' LEU . 7.5 tt -59.34 -40.37 86.16 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.95 -40.93 90.69 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.117 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.7 m -65.78 -38.09 88.08 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.183 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.31 -51.59 62.71 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -39.14 88.94 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 118.709 -1.196 . . . . 0.0 110.031 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.43 -37.1 85.91 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.756 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 14' ' ' VAL . 51.2 m -61.56 -43.08 99.52 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.746 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.542 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 92.3 mt -61.9 -43.02 99.7 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.794 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.8 mt -63.61 -46.67 94.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.777 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -61.93 -40.62 96.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.181 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 10' ' ' THR . 75.1 t -67.83 -46.12 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.146 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.569 ' CE2' ' CE2' ' A' ' 74' ' ' TYR . 2.0 m-85 -64.57 -48.12 76.2 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 121.537 0.684 . . . . 0.0 109.97 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -62.77 -40.23 96.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.96 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.04 92.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.211 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.511 ' HA ' ' HZ2' ' A' ' 21' ' ' LYS . 62.7 m170 -88.36 -28.37 21.02 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.756 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.1 t -59.06 -36.42 75.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.17 0.51 . . . . 0.0 111.271 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.44 -29.58 60.77 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 115.558 -0.747 . . . . 0.0 113.601 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.511 ' HZ2' ' HA ' ' A' ' 18' ' ' HIS . 31.7 mtmm -56.89 -39.87 75.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.904 0.852 . . . . 0.0 111.995 -177.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.544 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -139.16 141.11 38.02 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.416 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.39 -163.59 52.89 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 178.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.31 143.47 48.67 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.859 0.361 . . . . 0.0 110.198 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.57 -39.03 82.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 122.352 1.072 . . . . 0.0 109.33 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 68.3 m-85 -69.18 -27.59 65.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 113.204 -1.816 . . . . 0.0 113.232 -177.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -112.75 142.71 45.06 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.626 HD12 ' CD2' ' A' ' 74' ' ' TYR . 87.3 mt -99.56 138.79 36.16 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.53 -1.214 . . . . 0.0 108.768 175.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -100.45 163.65 12.27 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.584 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 86.0 tttt -52.76 -41.46 64.08 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.229 -177.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.1 -51.46 69.03 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.825 -0.75 . . . . 0.0 111.998 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.544 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.7 mt-10 -63.58 -39.32 94.08 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.774 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.0 -41.33 99.55 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.248 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HD3' HG21 ' A' ' 54' ' ' VAL . 14.8 tptp -61.28 -46.74 89.08 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.236 176.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.505 ' O ' HG22 ' A' ' 39' ' ' THR . 77.8 mm-40 -66.59 -36.11 81.83 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.033 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' A' ' 18' ' ' HIS . 0.5 OUTLIER -68.23 -47.69 67.11 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 119.721 -0.791 . . . . 0.0 111.443 179.603 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.6 mt -68.5 -44.07 75.49 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 119.416 -0.913 . . . . 0.0 110.983 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -64.25 -42.17 96.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.471 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 35' ' ' GLU . 2.1 t -80.38 -43.0 21.81 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.196 -0.602 . . . . 0.0 112.297 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.78 ' C ' HD12 ' A' ' 41' ' ' LEU . 77.0 mm-40 -71.33 -35.72 71.32 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.593 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.78 HD12 ' C ' ' A' ' 40' ' ' GLU . 7.5 mp -126.31 58.39 1.37 Allowed 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.277 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -55.14 -32.12 61.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.552 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.94 -67.54 1.38 Allowed Glycine 0 CA--C 1.53 1.013 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.078 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -58.52 -44.4 89.5 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.653 ' O ' ' N ' ' A' ' 47' ' ' ALA . 59.5 mt -92.72 -1.79 56.55 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.541 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 55.8 p30 -20.74 78.59 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.848 0.832 . . . . 0.0 112.497 -178.077 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.653 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -63.35 -24.45 67.86 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 114.838 -1.073 . . . . 0.0 111.206 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.45 -34.33 64.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.31 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.492 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 74.9 mmtt -58.68 -36.76 74.71 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 90.8 m-20 -140.8 88.21 2.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.296 -1.32 . . . . 0.0 110.469 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.51 -39.31 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.948 0.404 . . . . 0.0 110.636 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.639 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.7 p30 -61.38 -30.8 70.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.663 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.639 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -59.11 -30.85 68.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.599 -178.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.414 HG21 ' HD3' ' A' ' 34' ' ' LYS . 54.8 t -57.87 -44.07 85.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.329 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.584 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 86.3 m-20 -60.99 -41.47 96.57 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.796 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -60.14 -39.07 85.04 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.698 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.23 -45.16 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.344 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.486 ' SD ' ' C ' ' A' ' 58' ' ' MET . 2.5 ppp? -65.78 -38.35 88.81 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.964 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 58' ' ' MET . 92.5 mttt -59.32 -38.14 79.53 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 119.564 -0.854 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.42 -38.16 90.05 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.354 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.751 HD21 HD22 ' A' ' 77' ' ' LEU . 81.5 mt -67.6 -36.59 81.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.664 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 99.3 m-20 -98.0 33.87 2.04 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.876 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -52.17 -30.52 27.3 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 121.585 0.707 . . . . 0.0 109.273 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.529 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 12.5 m120 -52.91 -34.39 54.83 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.752 -178.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.32 3.9 62.96 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.686 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.5 p30 -61.47 -35.88 78.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.829 -0.686 . . . . 0.0 112.083 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.686 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 93.59 -10.83 72.31 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.508 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 83.7 tt0 -119.48 149.51 41.77 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.0 t -97.02 128.63 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.678 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -88.06 130.78 34.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.276 -1.329 . . . . 0.0 110.425 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.434 ' CE2' HG11 ' A' ' 75' ' ' VAL . 77.7 t80 -50.59 -42.52 55.89 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.818 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.583 ' O ' HG23 ' A' ' 76' ' ' VAL . 63.3 tt0 -58.73 -42.23 88.27 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.667 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.529 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.4 mt-10 -67.4 -39.77 85.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.07 0.462 . . . . 0.0 111.593 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.626 ' CD2' HD12 ' A' ' 28' ' ' LEU . 23.1 t80 -64.55 -44.19 91.56 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -179.008 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.434 HG11 ' CE2' ' A' ' 71' ' ' PHE . 33.5 m -67.39 -34.71 70.51 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.554 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 72' ' ' GLN . 79.8 t -61.51 -44.52 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.195 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.751 HD22 HD21 ' A' ' 61' ' ' LEU . 28.7 tp -64.82 -39.19 93.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.977 178.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.416 ' O ' HG22 ' A' ' 82' ' ' THR . 52.6 t -58.56 -39.53 75.88 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.76 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.407 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -57.14 -39.25 74.83 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.501 -178.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.77 75.69 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.369 -0.533 . . . . 0.0 111.318 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.68 -38.86 92.72 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.556 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 0.6 OUTLIER -60.39 -40.38 90.72 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.329 -0.948 . . . . 0.0 109.786 -179.611 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.95 -42.09 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.66 -31.83 73.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.785 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -55.55 -40.55 72.04 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.142 -179.313 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.545 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 19.2 t-20 -58.64 -38.24 77.68 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.408 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 . . . . . 0 CA--C 1.519 -0.222 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.935 -179.087 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.439 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 40.5 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.722 0.296 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.12 -35.58 79.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.843 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.719 ' O ' HD23 ' B' ' 4' ' ' LEU . 7.5 tt -59.2 -40.51 85.99 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.02 -40.96 91.1 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.021 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.42 ' O ' ' OG1' ' B' ' 10' ' ' THR . 47.5 m -65.69 -38.09 88.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.203 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.32 -51.63 62.5 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.514 -0.766 . . . . 0.0 113.01 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -39.26 89.03 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.139 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.29 -37.17 86.33 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.746 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' B' ' 6' ' ' THR . 51.9 m -61.59 -43.1 99.48 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.68 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.538 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 92.7 mt -61.88 -43.03 99.68 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.792 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.62 -46.64 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.725 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -62.01 -40.58 96.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.164 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.414 HG23 ' O ' ' B' ' 10' ' ' THR . 75.8 t -67.82 -46.15 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.191 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.561 ' CE2' ' CE2' ' B' ' 74' ' ' TYR . 2.0 m-85 -64.43 -48.22 76.13 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.591 0.71 . . . . 0.0 109.97 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -62.77 -40.24 96.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.95 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.1 92.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.204 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.536 ' HA ' ' HZ2' ' B' ' 21' ' ' LYS . 62.6 m170 -88.38 -28.41 20.97 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.732 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -59.06 -36.32 74.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.15 0.5 . . . . 0.0 111.374 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.49 -29.63 60.97 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-N 115.526 -0.761 . . . . 0.0 113.581 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.536 ' HZ2' ' HA ' ' B' ' 18' ' ' HIS . 31.7 mtmm -56.89 -39.78 75.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.958 0.879 . . . . 0.0 111.954 -177.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.9 mm-40 -139.18 141.03 37.98 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.29 -0.564 . . . . 0.0 111.374 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.49 -163.53 53.07 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.49 -0.862 . . . . 0.0 110.98 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -72.41 143.47 48.51 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.81 0.338 . . . . 0.0 110.19 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.59 -38.92 82.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 122.288 1.042 . . . . 0.0 109.356 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.504 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 68.8 m-85 -69.27 -27.55 65.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.181 -1.827 . . . . 0.0 113.222 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -112.79 142.69 45.13 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.63 HD12 ' CD2' ' B' ' 74' ' ' TYR . 87.4 mt -99.51 138.83 36.05 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 114.516 -1.22 . . . . 0.0 108.763 175.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -100.5 163.62 12.28 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.599 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 85.9 tttt -52.79 -41.44 64.13 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.27 -177.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.01 -51.51 68.91 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.764 -0.775 . . . . 0.0 111.99 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.552 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.7 mt-10 -63.59 -39.24 93.87 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.81 -176.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.08 -41.31 99.4 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.244 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.432 ' HD3' HG21 ' B' ' 54' ' ' VAL . 14.8 tptp -61.26 -46.77 89.0 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.228 176.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.493 ' O ' HG22 ' B' ' 39' ' ' THR . 77.8 mm-40 -66.54 -36.15 81.97 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.082 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.469 HD21 ' CB ' ' B' ' 18' ' ' HIS . 0.5 OUTLIER -68.16 -47.83 66.97 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 119.738 -0.785 . . . . 0.0 111.392 179.615 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 37' ' ' LEU . 70.9 mt -68.38 -44.07 75.95 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.015 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -64.34 -42.17 96.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.45 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.493 HG22 ' O ' ' B' ' 35' ' ' GLU . 2.0 t -80.28 -43.04 21.98 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.218 -0.593 . . . . 0.0 112.39 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.773 ' C ' HD12 ' B' ' 41' ' ' LEU . 76.9 mm-40 -71.32 -35.71 71.33 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 119.985 -0.686 . . . . 0.0 111.659 -178.202 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.773 HD12 ' C ' ' B' ' 40' ' ' GLU . 7.5 mp -126.25 58.36 1.37 Allowed 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.291 178.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -55.15 -32.06 61.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.0 -67.58 1.37 Allowed Glycine 0 CA--C 1.53 0.989 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.041 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -58.49 -44.49 89.43 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.667 ' O ' ' N ' ' B' ' 47' ' ' ALA . 59.7 mt -92.63 -1.88 56.54 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.55 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 55.5 p30 -20.75 78.68 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.762 0.791 . . . . 0.0 112.454 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -63.4 -24.34 67.8 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.232 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -55.46 -34.35 64.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.321 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.506 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 75.0 mmtt -58.69 -36.9 74.96 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 91.0 m-20 -140.67 88.23 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.296 -1.32 . . . . 0.0 110.445 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.49 -39.34 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.954 0.407 . . . . 0.0 110.606 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.7 p30 -61.4 -30.81 70.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.659 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.651 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -59.03 -30.93 68.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.541 -178.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.432 HG21 ' HD3' ' B' ' 34' ' ' LYS . 54.4 t -57.84 -44.09 85.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.3 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.599 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 86.5 m-20 -60.97 -41.51 96.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.486 0.66 . . . . 0.0 109.783 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -60.22 -38.97 85.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.978 -0.689 . . . . 0.0 109.729 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.28 -45.07 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.316 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.482 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.5 ppp? -65.84 -38.36 88.68 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.111 -0.636 . . . . 0.0 111.933 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -59.26 -38.22 79.55 Favored 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 119.473 -0.891 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.35 -38.22 90.27 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.35 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.762 HD21 HD22 ' B' ' 77' ' ' LEU . 81.5 mt -67.48 -36.68 81.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.689 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.507 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 99.3 m-20 -98.01 33.93 2.03 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.924 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -52.17 -30.44 26.93 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 121.544 0.688 . . . . 0.0 109.321 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.533 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 12.6 m120 -53.04 -34.26 55.64 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.71 -177.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.28 3.88 63.04 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 108.725 -1.75 . . . . 0.0 108.725 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.691 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.6 p30 -61.54 -35.8 78.77 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.848 -0.676 . . . . 0.0 112.064 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.691 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 93.57 -10.87 72.3 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.507 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 83.8 tt0 -119.44 149.53 41.71 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 56.3 t -97.07 128.65 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 119.734 -0.787 . . . . 0.0 110.657 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -87.98 130.75 34.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.143 -1.389 . . . . 0.0 110.448 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.44 ' CE2' HG11 ' B' ' 75' ' ' VAL . 77.6 t80 -50.51 -42.58 55.09 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.875 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.586 ' O ' HG23 ' B' ' 76' ' ' VAL . 63.3 tt0 -58.76 -42.19 88.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.671 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.533 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.4 mt-10 -67.4 -39.74 85.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.125 0.488 . . . . 0.0 111.561 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.63 ' CD2' HD12 ' B' ' 28' ' ' LEU . 23.0 t80 -64.62 -44.17 91.41 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.938 -178.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.44 HG11 ' CE2' ' B' ' 71' ' ' PHE . 33.4 m -67.49 -34.64 69.75 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.485 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 72' ' ' GLN . 79.4 t -61.6 -44.46 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.208 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.762 HD22 HD21 ' B' ' 61' ' ' LEU . 28.7 tp -64.87 -39.13 93.07 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.009 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.406 ' O ' HG22 ' B' ' 82' ' ' THR . 53.0 t -58.51 -39.48 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.825 -179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.405 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -57.19 -39.23 74.96 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.548 -178.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.43 -41.8 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.24 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.81 -38.74 92.22 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.567 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 0.6 OUTLIER -60.46 -40.41 91.08 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 119.374 -0.93 . . . . 0.0 109.75 -179.629 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.6 t -61.94 -42.09 93.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.67 -31.78 73.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.836 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -55.56 -40.5 72.03 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.134 -179.377 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.543 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 19.1 t-20 -58.68 -38.3 77.92 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.34 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 . . . . . 0 CA--C 1.52 -0.186 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.864 -178.99 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 120.818 0.342 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.424 ' HB2' HG11 ' B' ' 14' ' ' VAL . 92.2 mt-10 -61.56 -35.24 77.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.489 HD22 ' OE1' ' B' ' 40' ' ' GLU . 30.6 tp -58.0 -40.88 81.83 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.866 -178.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.58 -40.99 93.74 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.219 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.8 m -65.84 -38.71 89.62 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.347 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.3 89.27 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.833 -177.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.51 ' SD ' HD21 ' B' ' 41' ' ' LEU . 57.4 mtm -58.25 -40.81 82.76 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 118.466 -1.293 . . . . 0.0 109.077 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 97.8 mt-10 -67.36 -36.66 81.84 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.458 178.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.616 ' O ' HG13 ' A' ' 14' ' ' VAL . 44.7 m -61.7 -43.4 98.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.526 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.6 -47.65 82.88 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.466 0.651 . . . . 0.0 111.533 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.553 HD13 HD21 ' B' ' 86' ' ' ASN . 78.0 mt -66.1 -42.27 91.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.609 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 88.5 m-20 -61.23 -39.12 89.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.259 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 10' ' ' THR . 18.6 m -78.48 -48.57 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 119.459 -0.896 . . . . 0.0 112.125 -179.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.499 ' N ' HG23 ' A' ' 14' ' ' VAL . 65.6 m-85 -66.71 -41.1 88.51 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 119.223 -0.991 . . . . 0.0 111.444 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 85.0 t60 -60.96 -43.85 98.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.149 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.94 -51.37 56.02 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.57 -0.452 . . . . 0.0 112.176 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.756 ' CB ' HD21 ' A' ' 36' ' ' LEU . 38.4 m80 -61.4 -42.74 99.2 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -58.68 -35.41 72.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.261 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.05 -29.1 59.08 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.928 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -56.63 -40.64 75.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.478 0.639 . . . . 0.0 111.655 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.525 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -143.89 139.54 29.27 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.705 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.21 -166.15 54.75 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -72.6 143.9 48.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.819 0.342 . . . . 0.0 110.259 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -59.79 -39.08 83.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 122.418 1.104 . . . . 0.0 109.197 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.514 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 69.1 m-85 -69.76 -24.77 63.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 113.056 -1.884 . . . . 0.0 112.853 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.507 ' CB ' ' OE2' ' A' ' 68' ' ' GLU . 17.2 mmtm -112.42 143.06 44.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.429 0.633 . . . . 0.0 112.677 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.6 mt -98.67 133.23 43.3 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.55 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -89.18 155.82 19.18 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.557 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 64.4 tttt -53.6 -39.87 65.24 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 118.779 -1.168 . . . . 0.0 108.439 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.67 -51.98 65.09 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.525 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.4 mt-10 -63.14 -40.14 96.72 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.674 -176.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.51 -44.58 96.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.524 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.565 ' HZ1' ' CD ' ' A' ' 38' ' ' GLN . 17.5 tptp -60.54 -44.84 95.67 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.393 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.416 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -69.25 -38.58 78.53 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.591 -1.186 . . . . 0.0 112.092 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.756 HD21 ' CB ' ' A' ' 18' ' ' HIS . 44.6 mt -68.13 -47.8 67.13 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.034 -0.667 . . . . 0.0 112.26 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.1 mt -69.54 -42.05 75.13 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.499 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.565 ' CD ' ' HZ1' ' A' ' 34' ' ' LYS . 20.1 tt0 -64.83 -41.88 95.38 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.984 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.9 t -83.3 -47.07 11.89 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.73 -0.788 . . . . 0.0 112.32 -178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.654 ' C ' HD12 ' A' ' 41' ' ' LEU . 95.3 mt-10 -72.92 -33.91 66.27 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.18 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.654 HD12 ' C ' ' A' ' 40' ' ' GLU . 9.0 mp -122.72 51.52 1.4 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.454 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -58.07 -25.43 61.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.28 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.55 -69.35 1.3 Allowed Glycine 0 CA--C 1.529 0.953 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.666 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -58.64 -43.61 89.81 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.714 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -91.35 -3.43 56.78 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.531 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 55.1 p30 -20.42 72.12 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -177.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.714 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -66.56 -22.27 66.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.075 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -55.25 -35.71 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.862 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.491 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 12.1 mtpp -59.22 -35.25 73.31 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.053 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.0 m-20 -138.67 99.95 3.95 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.428 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.33 -40.8 87.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.926 0.393 . . . . 0.0 110.748 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.8 p30 -62.4 -30.91 71.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.191 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.653 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -60.17 -27.35 67.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.947 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.3 t -56.76 -43.56 79.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.987 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.557 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 90.1 m-20 -59.29 -41.04 88.04 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 119.55 -0.86 . . . . 0.0 108.86 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.54 -38.31 89.53 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.719 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 53' ' ' ALA . 77.5 t -63.52 -47.41 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.184 -178.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.679 ' SD ' ' ND2' ' A' ' 64' ' ' ASN . 2.6 ppp? -67.03 -39.26 86.95 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 119.408 -0.917 . . . . 0.0 110.445 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 62' ' ' ASP . 44.1 tttm -59.69 -43.05 94.19 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.914 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.11 -36.95 84.52 Favored 'General case' 0 C--N 1.334 -0.078 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.958 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 74' ' ' TYR . 73.0 mt -65.86 -56.12 13.48 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.404 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.68 ' CG ' HG13 ' A' ' 69' ' ' VAL . 21.0 m-20 -116.25 145.96 42.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.316 177.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.441 ' HG3' ' H ' ' A' ' 65' ' ' GLY . 20.7 pt-20 -68.53 -29.27 67.81 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.679 ' ND2' ' SD ' ' A' ' 58' ' ' MET . 86.7 m-20 56.27 41.92 28.58 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 112.848 -1.978 . . . . 0.0 115.589 177.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' H ' ' HG3' ' A' ' 63' ' ' GLU . . . -56.54 -32.89 61.63 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 104.631 -3.388 . . . . 0.0 104.631 174.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.741 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 44.9 p30 -64.28 -35.88 82.3 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 112.469 -1.865 . . . . 0.0 112.081 178.018 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.741 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 92.46 -10.35 74.32 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 -178.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.507 ' OE2' ' CB ' ' A' ' 27' ' ' LYS . 83.9 tt0 -115.7 148.36 39.83 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.68 HG13 ' CG ' ' A' ' 62' ' ' ASP . 42.5 t -97.42 128.38 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 118.863 -1.135 . . . . 0.0 110.845 -178.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.468 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 60.8 t0 -91.73 129.58 37.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.27 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.558 ' CE2' HG11 ' A' ' 75' ' ' VAL . 79.2 t80 -52.52 -41.74 63.74 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.695 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.481 ' O ' HG22 ' A' ' 75' ' ' VAL . 63.2 tt0 -57.38 -41.97 81.25 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.513 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.47 ' OE1' ' OD2' ' A' ' 62' ' ' ASP . 98.7 mt-10 -68.2 -38.7 82.23 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.135 0.493 . . . . 0.0 110.911 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.466 ' CD1' HD22 ' A' ' 61' ' ' LEU . 64.5 t80 -62.86 -42.17 99.65 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.558 HG11 ' CE2' ' A' ' 71' ' ' PHE . 33.0 m -65.83 -32.21 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.015 -178.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.76 -50.22 78.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 118.996 -1.082 . . . . 0.0 111.539 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 77' ' ' LEU . 35.8 tp -73.91 -38.89 64.2 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 p -56.28 -33.01 36.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 119.611 -0.835 . . . . 0.0 110.269 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.443 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -58.09 -38.02 75.62 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.28 -38.06 78.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.127 0.489 . . . . 0.0 109.922 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.91 -39.76 95.52 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.59 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -61.06 -40.77 94.93 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 119.165 -1.014 . . . . 0.0 109.468 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.11 -41.2 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.65 74.29 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.896 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 78.2 m -53.75 -38.22 64.18 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.206 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.541 HD21 HD13 ' B' ' 12' ' ' ILE . 86.3 m-20 -58.83 -36.42 74.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.205 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 . . . . . 0 CA--C 1.517 -0.309 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.446 -179.351 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.813 0.34 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.429 ' HB2' HG11 ' A' ' 14' ' ' VAL . 92.4 mt-10 -61.64 -35.2 77.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.493 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.482 HD22 ' OE1' ' A' ' 40' ' ' GLU . 30.4 tp -58.02 -40.83 81.83 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.857 -178.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.57 -41.03 93.78 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.209 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.9 m -65.76 -38.78 90.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.388 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.33 89.22 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.759 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.51 ' SD ' HD21 ' A' ' 41' ' ' LEU . 57.4 mtm -58.33 -40.84 83.18 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 118.446 -1.302 . . . . 0.0 109.016 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 97.8 mt-10 -67.29 -36.6 81.87 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.469 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.593 ' O ' HG13 ' B' ' 14' ' ' VAL . 45.3 m -61.83 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.512 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.49 -47.76 82.54 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.519 0.676 . . . . 0.0 111.516 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.541 HD13 HD21 ' A' ' 86' ' ' ASN . 78.2 mt -66.09 -42.22 90.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.627 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 88.0 m-20 -61.27 -39.11 89.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.324 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.593 HG13 ' O ' ' B' ' 10' ' ' THR . 18.6 m -78.42 -48.59 22.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.102 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.51 ' N ' HG23 ' B' ' 14' ' ' VAL . 65.6 m-85 -66.72 -41.2 88.32 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 119.255 -0.978 . . . . 0.0 111.407 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.444 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 85.1 t60 -60.84 -43.97 97.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.124 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.91 -51.31 56.83 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.753 ' CB ' HD21 ' B' ' 36' ' ' LEU . 38.4 m80 -61.39 -42.87 99.41 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -58.58 -35.37 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.076 0.465 . . . . 0.0 111.334 -178.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.1 -29.16 59.29 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.861 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -56.63 -40.64 75.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.488 0.644 . . . . 0.0 111.625 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.51 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -143.81 139.57 29.4 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.671 178.363 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.32 -166.25 54.71 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.556 -1.018 . . . . 0.0 110.556 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.64 143.89 47.99 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 120.843 0.354 . . . . 0.0 110.313 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -59.78 -39.07 83.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 122.393 1.092 . . . . 0.0 109.225 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.509 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 68.1 m-85 -69.65 -24.9 63.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 113.025 -1.898 . . . . 0.0 112.897 -177.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.505 ' CB ' ' OE2' ' B' ' 68' ' ' GLU . 17.2 mmtm -112.37 142.96 44.25 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.5 mt -98.65 133.3 43.17 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.544 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.8 t -89.22 155.82 19.16 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.572 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 64.5 tttt -53.6 -39.93 65.28 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 118.757 -1.177 . . . . 0.0 108.374 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.62 -51.93 65.36 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.51 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.6 mt-10 -63.23 -40.15 96.64 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.622 -176.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.4 -44.73 95.74 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.537 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.557 ' HZ1' ' CD ' ' B' ' 38' ' ' GLN . 17.6 tptp -60.45 -44.78 95.48 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.498 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.415 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -69.21 -38.6 78.66 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 114.606 -1.179 . . . . 0.0 112.124 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.753 HD21 ' CB ' ' B' ' 18' ' ' HIS . 44.8 mt -68.21 -47.76 67.02 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.227 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 64.0 mt -69.59 -41.98 75.04 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.552 -0.859 . . . . 0.0 110.519 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.557 ' CD ' ' HZ1' ' B' ' 34' ' ' LYS . 20.1 tt0 -64.82 -41.95 95.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.959 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.489 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.9 t -83.29 -46.92 12.07 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.654 -0.818 . . . . 0.0 112.349 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.646 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.3 mt-10 -73.01 -33.88 66.03 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.175 -178.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.646 HD12 ' C ' ' B' ' 40' ' ' GLU . 9.0 mp -122.68 51.42 1.41 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.479 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -57.97 -25.41 60.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.297 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.61 -69.34 1.3 Allowed Glycine 0 CA--C 1.53 1.016 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.655 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -58.61 -43.64 89.69 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.719 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.5 OUTLIER -91.34 -3.4 56.82 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.532 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 55.1 p30 -20.45 72.15 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -177.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.719 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -66.61 -22.28 66.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.077 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -55.3 -35.72 65.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.795 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.488 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 12.1 mtpp -59.2 -35.25 73.25 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.068 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 90.8 m-20 -138.69 99.92 3.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.483 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 78.4 t -61.36 -40.79 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 110.753 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.8 p30 -62.26 -31.04 71.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.257 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.645 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -60.16 -27.32 67.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.978 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -56.61 -43.56 79.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.03 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.572 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 90.1 m-20 -59.3 -41.04 88.04 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 119.521 -0.872 . . . . 0.0 108.895 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.55 -38.33 89.64 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.589 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 53' ' ' ALA . 77.9 t -63.57 -47.38 91.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.11 -178.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.685 ' SD ' ' ND2' ' B' ' 64' ' ' ASN . 2.6 ppp? -67.11 -39.26 86.64 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 119.364 -0.935 . . . . 0.0 110.439 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' B' ' 62' ' ' ASP . 44.1 tttm -59.59 -43.03 93.83 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.978 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.14 -37.03 84.7 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.991 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' B' ' 74' ' ' TYR . 72.7 mt -65.79 -56.06 13.95 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.507 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.672 ' CG ' HG13 ' B' ' 69' ' ' VAL . 20.9 m-20 -116.26 145.89 42.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.273 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.44 ' HG3' ' H ' ' B' ' 65' ' ' GLY . 20.6 pt-20 -68.44 -29.29 67.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 105.58 -2.008 . . . . 0.0 105.58 174.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.685 ' ND2' ' SD ' ' B' ' 58' ' ' MET . 86.6 m-20 56.19 41.92 28.76 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 112.854 -1.975 . . . . 0.0 115.607 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.44 ' H ' ' HG3' ' B' ' 63' ' ' GLU . . . -56.54 -32.83 61.56 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 104.68 -3.368 . . . . 0.0 104.68 174.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.744 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 44.9 p30 -64.36 -35.78 82.0 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 112.467 -1.867 . . . . 0.0 112.091 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.744 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 92.34 -10.28 74.55 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.505 ' OE2' ' CB ' ' B' ' 27' ' ' LYS . 84.0 tt0 -115.61 148.39 39.68 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.672 HG13 ' CG ' ' B' ' 62' ' ' ASP . 42.6 t -97.48 128.38 48.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 118.849 -1.141 . . . . 0.0 110.834 -178.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.448 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 60.8 t0 -91.68 129.63 37.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.065 -1.425 . . . . 0.0 111.226 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.555 ' CE2' HG11 ' B' ' 75' ' ' VAL . 79.3 t80 -52.53 -41.74 63.76 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.668 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.47 ' O ' HG22 ' B' ' 75' ' ' VAL . 63.2 tt0 -57.51 -41.83 81.59 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.495 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.462 ' OE1' ' OD2' ' B' ' 62' ' ' ASP . 98.7 mt-10 -68.21 -38.79 82.3 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.18 0.514 . . . . 0.0 110.921 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.468 ' CD1' HD22 ' B' ' 61' ' ' LEU . 64.8 t80 -62.74 -42.29 99.59 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.555 HG11 ' CE2' ' B' ' 71' ' ' PHE . 32.9 m -65.7 -32.34 57.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.028 -0.669 . . . . 0.0 112.063 -178.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.65 -50.22 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 119.0 -1.08 . . . . 0.0 111.588 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.7 tp -73.87 -38.95 64.28 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 p -56.28 -33.07 36.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.233 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.448 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -58.0 -38.01 75.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.32 -38.01 78.02 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.422 -0.511 . . . . 0.0 109.95 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.95 -39.67 95.33 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.658 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 0.6 OUTLIER -61.14 -40.66 94.66 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.492 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.19 -41.17 90.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.13 -32.67 74.33 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.83 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 78.2 m -53.71 -38.26 64.11 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.217 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.553 HD21 HD13 ' A' ' 12' ' ' ILE . 86.5 m-20 -58.92 -36.22 74.38 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.26 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 . . . . . 0 CA--C 1.517 -0.31 0 C-N-CA 119.959 -0.696 . . . . 0.0 109.431 -179.421 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.812 0.339 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.37 -35.22 78.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.448 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 36.3 tp -59.2 -39.82 83.8 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.438 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.72 -40.92 89.62 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 119.35 -0.94 . . . . 0.0 108.772 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 m -66.14 -38.0 87.05 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.206 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.37 80.97 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.922 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.9 mtm -58.12 -42.48 85.86 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 119.132 -1.027 . . . . 0.0 108.942 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.09 -38.44 88.25 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 113.528 -1.669 . . . . 0.0 109.938 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.7 ' O ' HG23 ' A' ' 14' ' ' VAL . 45.2 m -61.74 -43.09 99.52 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.05 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.41 -43.64 96.51 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.375 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.33 -42.77 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.501 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -59.83 -39.03 83.74 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.286 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 10' ' ' THR . 81.1 t -65.33 -43.52 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.677 ' CE1' HD23 ' A' ' 28' ' ' LEU . 73.6 t80 -60.04 -52.89 63.44 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.964 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.64 -40.91 98.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.771 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.24 98.95 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.731 ' HB2' HD21 ' A' ' 36' ' ' LEU . 95.0 m-70 -98.84 -49.89 4.4 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.497 ' OG ' ' CD2' ' A' ' 28' ' ' LEU . 17.1 m -59.52 -37.3 77.99 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.77 -177.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.04 -36.42 92.27 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.467 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -59.58 -36.52 76.4 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -177.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.54 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.3 mt-10 -120.82 149.81 42.0 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.718 0.771 . . . . 0.0 112.906 -177.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.82 -148.45 49.81 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 114.607 -1.179 . . . . 0.0 112.363 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -82.92 129.66 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.44 -0.88 . . . . 0.0 109.895 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.517 ' C ' ' H ' ' A' ' 27' ' ' LYS . 90.9 mttt -69.17 165.17 20.99 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 60.06 0.46 0.28 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.609 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.586 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 33.0 tptt -126.94 135.63 51.16 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.677 HD23 ' CE1' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -101.94 128.13 48.49 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.779 -177.063 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -104.0 160.03 15.17 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -55.31 -40.2 70.83 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.428 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -59.39 -48.73 80.51 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.428 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.54 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 98.5 mt-10 -62.45 -38.44 89.79 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.747 -177.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.27 -42.94 99.18 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.207 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.599 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -61.84 -47.05 86.8 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.86 178.178 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -69.19 -38.3 78.57 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 120.298 -0.561 . . . . 0.0 112.061 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.731 HD21 ' HB2' ' A' ' 18' ' ' HIS . 71.7 mt -64.42 -49.72 70.42 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 119.631 -0.828 . . . . 0.0 112.088 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.523 HD21 ' OH ' ' A' ' 74' ' ' TYR . 66.7 mt -69.77 -42.91 73.21 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.517 -0.873 . . . . 0.0 111.235 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.599 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.8 tt0 -63.88 -42.66 97.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.316 -0.856 . . . . 0.0 113.082 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.5 t -82.79 -46.27 13.3 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.853 -0.739 . . . . 0.0 112.419 -178.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.504 ' OE2' ' CG1' ' A' ' 14' ' ' VAL . 95.7 mt-10 -72.94 -35.52 67.01 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.658 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.2 mt -123.72 53.85 1.34 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.792 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -55.26 -32.36 62.28 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.593 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.53 -67.42 1.53 Allowed Glycine 0 CA--C 1.532 1.144 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.496 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -58.24 -43.51 87.84 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.685 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -90.43 -3.78 57.45 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.533 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 53.8 p30 -20.9 77.24 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.78 0.8 . . . . 0.0 112.564 -177.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.685 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -63.87 -24.76 67.87 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.28 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.52 -34.76 64.95 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.397 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.508 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 72.1 mmtt -59.01 -37.66 77.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.3 m-20 -142.32 89.13 2.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.255 -1.339 . . . . 0.0 110.502 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.45 -39.17 81.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.97 0.414 . . . . 0.0 110.547 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.4 p30 -61.8 -29.56 70.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.558 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.645 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -58.09 -30.52 66.31 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.442 HG21 ' HD3' ' A' ' 34' ' ' LYS . 58.7 t -57.08 -45.63 84.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.536 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -63.31 -39.31 94.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.431 0.634 . . . . 0.0 110.315 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -60.21 -42.02 94.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.483 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 m -76.48 -37.17 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 C-N-CA 119.426 -0.91 . . . . 0.0 111.577 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.492 ' SD ' ' C ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -62.71 -34.94 78.19 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.512 179.046 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -58.21 -41.12 83.35 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 120.161 -0.615 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.95 -37.09 86.49 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.473 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.732 HD21 HD22 ' A' ' 77' ' ' LEU . 81.9 mt -66.43 -36.13 82.04 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.491 0.663 . . . . 0.0 110.501 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -88.94 36.2 0.81 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.737 -1.119 . . . . 0.0 113.383 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -50.33 -30.47 12.15 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.468 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.682 ' ND2' ' OE2' ' A' ' 73' ' ' GLU . 54.5 m-20 -52.39 -30.74 30.62 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.131 -178.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.24 4.31 56.42 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 108.517 -1.833 . . . . 0.0 108.517 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.462 ' OD1' ' C ' ' A' ' 66' ' ' ASP . 50.8 p30 -83.52 171.91 12.91 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-O 121.83 0.824 . . . . 0.0 109.611 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -99.69 -7.41 53.55 Favored Glycine 0 C--N 1.3 -1.425 0 CA-C-N 114.284 -1.326 . . . . 0.0 111.159 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.419 ' OE2' ' CG ' ' A' ' 27' ' ' LYS . 77.4 tt0 -116.22 150.64 37.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.8 0.333 . . . . 0.0 110.324 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.529 ' O ' ' O ' ' A' ' 28' ' ' LEU . 58.8 t -106.71 133.28 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.586 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 87.3 m-20 -85.43 145.75 27.3 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.341 178.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.609 ' CZ ' ' CG1' ' A' ' 75' ' ' VAL . 71.0 t80 -55.1 -39.27 69.14 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.357 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -55.41 -41.0 72.13 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 119.671 -0.811 . . . . 0.0 109.021 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.682 ' OE2' ' ND2' ' A' ' 64' ' ' ASN . 97.5 mt-10 -68.04 -38.81 82.95 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.996 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.523 ' OH ' HD21 ' A' ' 37' ' ' LEU . 86.3 t80 -62.76 -44.29 96.58 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.609 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 34.5 m -68.24 -36.07 73.71 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.7 t -63.82 -45.98 95.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 119.213 -0.995 . . . . 0.0 110.469 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.732 HD22 HD21 ' A' ' 61' ' ' LEU . 28.3 tp -68.51 -41.57 79.79 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.4 p -59.15 -33.57 50.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 C-N-CA 119.899 -0.72 . . . . 0.0 111.453 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.426 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -58.91 -37.57 76.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.59 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.3 -42.81 74.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.3 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 81' ' ' LEU . 7.0 mp -65.31 -38.38 90.01 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.1 t -57.84 -40.73 80.77 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.556 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.43 -42.14 92.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.04 0.448 . . . . 0.0 109.995 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.66 76.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.966 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.7 m -57.1 -37.03 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -56.83 -38.72 73.02 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.634 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.522 -179.8 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.743 0.306 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.26 -35.3 78.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.444 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 35.9 tp -59.11 -39.78 83.35 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.507 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.86 -40.92 90.23 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.744 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.7 m -66.07 -37.95 87.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.246 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.85 -47.33 81.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.982 -177.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 51.1 mtm -58.19 -42.49 86.23 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.916 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -66.06 -38.44 88.32 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 113.586 -1.643 . . . . 0.0 109.916 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.709 ' O ' HG23 ' B' ' 14' ' ' VAL . 45.4 m -61.76 -43.07 99.57 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.025 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.49 -43.59 96.85 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.425 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.1 mt -64.27 -42.84 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.552 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -59.72 -39.09 83.51 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.273 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.709 HG23 ' O ' ' B' ' 10' ' ' THR . 82.0 t -65.36 -43.49 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.676 ' CE1' HD23 ' B' ' 28' ' ' LEU . 73.3 t80 -59.93 -52.94 63.25 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.015 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.61 -41.0 98.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.711 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.3 98.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.737 ' HB2' HD21 ' B' ' 36' ' ' LEU . 95.2 m-70 -98.82 -49.91 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.499 ' OG ' ' CD2' ' B' ' 28' ' ' LEU . 17.1 m -59.52 -37.23 77.81 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.727 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.16 -36.38 92.28 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.416 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -59.51 -36.58 76.35 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.535 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.3 mt-10 -120.82 149.83 41.97 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.781 0.801 . . . . 0.0 112.892 -177.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.87 -148.5 49.91 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 114.618 -1.173 . . . . 0.0 112.368 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -82.82 129.55 35.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.489 -0.855 . . . . 0.0 109.894 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.506 ' C ' ' H ' ' B' ' 27' ' ' LYS . 90.9 mttt -69.1 165.14 20.94 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 60.08 0.5 0.28 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.584 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.584 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 33.1 tptt -126.96 135.7 51.25 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.676 HD23 ' CE1' ' B' ' 15' ' ' PHE . 0.7 OUTLIER -101.96 128.07 48.54 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.995 0.426 . . . . 0.0 110.711 -177.014 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 79.1 p -103.98 160.09 15.11 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.416 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -55.42 -40.15 71.11 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.405 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -59.33 -48.72 80.57 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.512 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.535 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 98.5 mt-10 -62.49 -38.39 89.72 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.773 -177.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.29 -42.95 99.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.157 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.585 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.9 OUTLIER -61.74 -47.12 86.66 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.919 178.133 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.424 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -69.1 -38.38 78.92 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.239 -0.584 . . . . 0.0 112.068 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.737 HD21 ' HB2' ' B' ' 18' ' ' HIS . 71.7 mt -64.36 -49.67 70.72 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 119.59 -0.844 . . . . 0.0 112.167 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.534 HD21 ' OH ' ' B' ' 74' ' ' TYR . 66.4 mt -69.8 -42.89 73.14 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.466 -0.894 . . . . 0.0 111.225 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.585 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.8 tt0 -63.83 -42.73 97.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.052 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.5 t -82.71 -46.42 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.988 -0.685 . . . . 0.0 112.43 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.504 ' OE2' ' CG1' ' B' ' 14' ' ' VAL . 95.6 mt-10 -72.89 -35.57 67.15 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 119.714 -0.794 . . . . 0.0 111.671 -178.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 77.2 mt -123.68 53.78 1.34 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.823 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -55.17 -32.39 62.11 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.603 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.57 -67.46 1.52 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.496 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -58.26 -43.39 87.86 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.675 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.3 OUTLIER -90.48 -3.79 57.4 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.543 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 53.9 p30 -20.99 77.19 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.818 0.818 . . . . 0.0 112.598 -177.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.675 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -63.86 -24.63 67.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.281 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.57 -34.81 65.1 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.403 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.517 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 72.1 mmtt -58.96 -37.67 77.3 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.517 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.2 m-20 -142.33 89.08 2.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.206 -1.361 . . . . 0.0 110.522 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.44 -39.24 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.992 0.425 . . . . 0.0 110.532 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.646 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.3 p30 -61.66 -29.61 70.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.624 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.646 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -58.14 -30.42 66.33 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.457 HG21 ' HD3' ' B' ' 34' ' ' LYS . 58.5 t -57.06 -45.63 84.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 119.549 -0.86 . . . . 0.0 109.6 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -63.31 -39.35 94.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.38 0.609 . . . . 0.0 110.261 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -60.24 -41.95 94.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.545 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 m -76.43 -37.21 30.33 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.661 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.484 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.0 OUTLIER -62.65 -34.97 78.15 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.556 178.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' B' ' 58' ' ' MET . 81.3 tttt -58.27 -40.95 83.21 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.274 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.03 -37.15 86.67 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.443 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.712 HD21 HD22 ' B' ' 77' ' ' LEU . 81.9 mt -66.4 -36.14 82.09 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.519 0.676 . . . . 0.0 110.5 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -88.93 36.22 0.81 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.722 -1.126 . . . . 0.0 113.352 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.38 -30.52 12.48 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 176.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.699 ' ND2' ' OE2' ' B' ' 73' ' ' GLU . 54.1 m-20 -52.29 -30.84 30.0 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.154 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.21 4.45 56.42 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 108.569 -1.812 . . . . 0.0 108.569 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.455 ' OD1' ' C ' ' B' ' 66' ' ' ASP . 50.8 p30 -83.59 171.89 12.87 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-O 121.74 0.781 . . . . 0.0 109.592 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -99.71 -7.45 53.41 Favored Glycine 0 C--N 1.299 -1.483 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.164 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.422 ' OE2' ' CG ' ' B' ' 27' ' ' LYS . 77.4 tt0 -116.21 150.71 37.06 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.799 0.333 . . . . 0.0 110.354 -178.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.531 ' O ' ' O ' ' B' ' 28' ' ' LEU . 58.9 t -106.68 133.25 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.584 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 87.2 m-20 -85.39 145.77 27.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.382 178.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' B' ' 75' ' ' VAL . 70.8 t80 -55.2 -39.18 69.32 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.387 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -55.46 -41.0 72.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 119.679 -0.808 . . . . 0.0 108.995 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.699 ' OE2' ' ND2' ' B' ' 64' ' ' ASN . 97.5 mt-10 -68.01 -38.73 82.94 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.068 178.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.534 ' OH ' HD21 ' B' ' 37' ' ' LEU . 86.4 t80 -62.86 -44.21 96.73 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' B' ' 71' ' ' PHE . 34.4 m -68.2 -36.15 74.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.73 -46.17 95.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 119.279 -0.968 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.712 HD22 HD21 ' B' ' 61' ' ' LEU . 28.6 tp -68.57 -41.46 79.69 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.438 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.4 p -59.08 -33.67 51.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.458 -177.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.429 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -58.82 -37.6 76.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.652 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.35 -42.7 74.91 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.376 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.472 HD12 ' N ' ' B' ' 81' ' ' LEU . 7.0 mp -65.4 -38.22 89.31 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.1 t -57.95 -40.72 81.23 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.53 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.34 -42.21 92.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.045 0.45 . . . . 0.0 110.008 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.6 76.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.014 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 71.4 m -57.14 -37.01 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -56.94 -38.61 73.15 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.645 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 CA--C 1.517 -0.326 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.534 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.733 0.301 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -62.13 -34.48 76.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.746 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.463 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 34.9 tp -57.69 -41.05 80.84 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.282 -177.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.78 -41.02 94.73 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.41 -0.916 . . . . 0.0 108.969 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -65.61 -37.88 87.88 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.029 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.543 ' HB1' HD21 ' B' ' 11' ' ' LEU . . . -63.04 -46.52 87.14 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.294 -178.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.7 mtm -59.37 -41.21 88.77 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 118.798 -1.161 . . . . 0.0 109.557 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 97.8 mt-10 -67.4 -38.34 84.51 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.358 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 14' ' ' VAL . 42.2 m -63.49 -45.49 90.48 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 120.161 -0.615 . . . . 0.0 111.411 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.693 HD11 HD11 ' B' ' 11' ' ' LEU . 84.7 mt -62.47 -49.08 76.81 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.827 -0.749 . . . . 0.0 111.377 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.7 mt -62.16 -43.16 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.718 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 89.7 m-20 -61.19 -39.5 90.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.014 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 10' ' ' THR . 69.8 t -67.72 -49.44 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.774 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.426 ' HD1' HD13 ' A' ' 36' ' ' LEU . 65.7 m-85 -66.56 -44.54 82.01 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.756 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.85 -40.35 95.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.075 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.53 -52.61 62.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.014 -177.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -66.18 -40.69 90.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.936 0.398 . . . . 0.0 111.688 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' GLU . 12.5 t -58.13 -37.73 75.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.17 -178.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.6 -32.04 72.54 Favored Glycine 0 CA--C 1.522 0.509 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.522 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -57.31 -38.22 73.67 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.938 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.511 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -136.41 145.73 45.61 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.202 0.525 . . . . 0.0 111.98 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.58 -145.51 45.07 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 115.462 -0.79 . . . . 0.0 113.043 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -83.08 133.39 35.07 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 114.52 -0.84 . . . . 0.0 111.059 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.13 -40.01 73.12 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.746 0.784 . . . . 0.0 110.517 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 62.2 m-85 -71.84 -22.49 61.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.252 -1.34 . . . . 0.0 113.897 -177.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -112.62 142.56 45.07 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.3 mt -102.89 135.75 43.99 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.07 -1.423 . . . . 0.0 107.755 174.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.8 t -100.54 159.86 14.82 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.487 ' CE ' ' OD1' ' A' ' 55' ' ' ASP . 63.7 tttm -50.11 -40.02 44.59 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 118.726 -1.19 . . . . 0.0 109.094 -177.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -62.03 -50.31 72.55 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.046 -0.662 . . . . 0.0 112.089 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.511 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.6 mt-10 -63.53 -40.74 97.82 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.684 -175.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.7 -40.41 96.72 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.596 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.558 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -60.28 -45.32 93.75 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.192 177.785 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.839 ' O ' HG22 ' A' ' 39' ' ' THR . 78.1 mm-40 -68.31 -38.62 81.77 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 119.59 -0.844 . . . . 0.0 112.134 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.426 HD13 ' HD1' ' A' ' 15' ' ' PHE . 26.7 mt -62.28 -51.47 67.57 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 119.666 -0.814 . . . . 0.0 111.803 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 42' ' ' SER . 61.2 mt -70.44 -43.15 70.49 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 119.293 -0.963 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.558 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.8 tt0 -57.82 -41.24 81.8 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.99 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.839 HG22 ' O ' ' A' ' 35' ' ' GLU . 13.5 t -81.9 -32.6 30.88 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 119.192 -1.003 . . . . 0.0 111.792 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.765 ' HG3' HG23 ' A' ' 39' ' ' THR . 96.3 mt-10 -109.89 -45.03 3.69 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 117.852 2.538 . . . . 0.0 117.852 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.5 mt -131.9 0.66 3.9 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.661 ' O ' ' N ' ' A' ' 46' ' ' ASP . 22.8 t -53.51 -43.1 68.03 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 117.425 -1.71 . . . . 0.0 110.742 -174.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.55 -37.97 68.62 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 119.126 -1.512 . . . . 0.0 110.579 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -56.37 -39.6 73.2 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.8 mt -91.74 -72.72 0.57 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.479 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.707 ' OD2' ' HB1' ' A' ' 53' ' ' ALA . 84.6 m-20 -109.37 -112.6 0.31 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.518 ' HB2' ' OG ' ' A' ' 42' ' ' SER . . . 31.15 -59.63 0.0 OUTLIER 'General case' 0 C--N 1.354 0.764 0 C-N-CA 126.141 1.777 . . . . 0.0 113.944 -177.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.698 ' N ' ' O ' ' A' ' 46' ' ' ASP . 94.8 mt-30 -57.02 -36.1 70.05 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.332 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -90.25 -76.91 0.42 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.096 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -98.85 122.24 41.84 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.264 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.01 -38.63 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.68 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 48.9 p30 -87.03 11.03 14.67 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -177.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.707 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -58.59 -27.83 65.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.548 HG21 ' HD3' ' A' ' 34' ' ' LYS . 69.4 t -56.17 -45.51 80.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.787 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.487 ' OD1' ' CE ' ' A' ' 30' ' ' LYS . 87.2 m-20 -63.37 -40.72 98.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.357 0.599 . . . . 0.0 110.493 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -60.98 -41.78 97.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.858 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.8 m -75.98 -38.71 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 C-N-CA 119.315 -0.954 . . . . 0.0 111.928 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.538 ' SD ' ' C ' ' A' ' 58' ' ' MET . 1.8 ppp? -63.07 -36.86 84.98 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.567 -0.853 . . . . 0.0 110.271 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -58.58 -40.97 84.65 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.508 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -65.04 -38.01 89.46 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.863 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.502 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 72.8 mt -66.99 -37.48 84.29 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.144 0.497 . . . . 0.0 110.495 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.85 32.94 1.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.026 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.65 -34.19 57.77 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.444 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.552 HD21 ' CG ' ' A' ' 66' ' ' ASP . 36.7 p-10 -58.71 -28.5 65.87 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.8 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.72 7.0 63.37 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.177 178.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.674 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.2 p30 -60.87 -35.15 75.85 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.734 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.674 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 93.23 -9.23 75.01 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -114.55 144.2 43.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.38 126.66 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.968 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -92.46 132.8 36.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.933 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.588 ' O ' HG23 ' A' ' 75' ' ' VAL . 86.1 t80 -50.38 -38.43 42.5 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.731 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.69 -40.5 88.08 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.561 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.502 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 99.7 mt-10 -67.29 -39.7 86.03 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.352 0.596 . . . . 0.0 110.287 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.411 ' CE2' HG21 ' A' ' 78' ' ' VAL . 81.9 t80 -63.94 -43.01 97.12 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.583 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.992 HG12 ' HB1' ' B' ' 79' ' ' ALA . 70.9 t -60.3 -42.34 90.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.031 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.0 -43.51 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.344 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.49 HD22 HD21 ' A' ' 61' ' ' LEU . 30.1 tp -63.34 -39.76 95.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.278 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 82' ' ' THR . 55.9 t -60.35 -38.75 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.301 -0.559 . . . . 0.0 111.805 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 1.01 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -59.75 -39.62 85.4 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.53 -45.94 60.95 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.068 -0.653 . . . . 0.0 112.225 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -67.32 -37.57 83.55 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -178.749 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.558 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.4 t -56.47 -41.47 76.63 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.97 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.81 -41.21 89.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.06 -31.23 72.34 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.412 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -54.82 -35.7 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.06 -179.633 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.444 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 18.7 t-20 -56.28 -36.93 69.17 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.235 0.54 . . . . 0.0 110.293 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.838 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.772 0.32 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -62.26 -34.29 76.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.756 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.469 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 35.1 tp -57.92 -40.88 81.47 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.217 -177.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -60.94 -40.81 94.69 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.033 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.6 m -65.57 -38.1 88.56 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.959 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.532 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -62.94 -46.58 87.08 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.281 -178.009 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.7 mtm -59.33 -41.24 88.65 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 118.764 -1.175 . . . . 0.0 109.555 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 97.8 mt-10 -67.43 -38.33 84.39 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.331 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.59 ' O ' HG23 ' B' ' 14' ' ' VAL . 42.6 m -63.47 -45.49 90.54 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.173 -0.611 . . . . 0.0 111.402 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.693 HD11 HD11 ' A' ' 11' ' ' LEU . 84.7 mt -62.43 -49.11 76.75 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 119.918 -0.713 . . . . 0.0 111.379 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.7 mt -62.25 -43.04 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.736 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 89.5 m-20 -61.26 -39.52 90.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.018 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 10' ' ' THR . 69.3 t -67.73 -49.42 69.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.776 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.437 ' HD1' HD13 ' B' ' 36' ' ' LEU . 65.7 m-85 -66.48 -44.69 81.97 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.779 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.68 -40.43 94.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.101 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.66 -52.56 62.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.915 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -66.13 -40.72 90.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.932 0.396 . . . . 0.0 111.707 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.407 ' O ' ' O ' ' B' ' 22' ' ' GLU . 12.4 t -58.19 -37.66 75.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.166 -178.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.67 -32.05 72.89 Favored Glycine 0 CA--C 1.521 0.454 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.483 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -57.31 -38.22 73.68 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.866 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.511 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -136.41 145.81 45.72 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.297 0.57 . . . . 0.0 111.989 179.325 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.48 -145.55 44.8 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-N 115.495 -0.775 . . . . 0.0 113.057 177.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -83.02 133.41 35.09 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 114.604 -0.798 . . . . 0.0 111.062 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.18 -39.95 73.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.76 0.79 . . . . 0.0 110.545 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.504 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 63.1 m-85 -71.84 -22.59 61.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.214 -1.357 . . . . 0.0 113.86 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -112.67 142.62 45.06 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.9 mt -102.95 135.7 44.14 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.002 -1.453 . . . . 0.0 107.739 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 45.9 t -100.52 159.86 14.82 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.488 ' CE ' ' OD1' ' B' ' 55' ' ' ASP . 63.7 tttm -50.09 -40.04 44.42 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 118.764 -1.174 . . . . 0.0 109.113 -177.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -62.0 -50.32 72.51 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.969 -0.693 . . . . 0.0 112.105 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.511 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.7 mt-10 -63.5 -40.77 97.95 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.652 -175.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.67 -40.44 96.82 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.636 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.556 ' HD3' HG21 ' B' ' 54' ' ' VAL . 0.3 OUTLIER -60.28 -45.31 93.79 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.245 177.77 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.829 ' O ' HG22 ' B' ' 39' ' ' THR . 78.3 mm-40 -68.24 -38.58 81.96 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 119.643 -0.823 . . . . 0.0 112.159 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.437 HD13 ' HD1' ' B' ' 15' ' ' PHE . 26.7 mt -62.32 -51.65 66.83 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.763 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' B' ' 42' ' ' SER . 61.2 mt -70.24 -43.18 71.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 119.307 -0.957 . . . . 0.0 111.137 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.509 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.8 tt0 -57.8 -41.21 81.69 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.983 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.829 HG22 ' O ' ' B' ' 35' ' ' GLU . 13.5 t -82.03 -32.51 30.44 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.782 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.758 ' HG3' HG23 ' B' ' 39' ' ' THR . 96.3 mt-10 -109.92 -45.06 3.69 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 -177.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 52.2 mt -131.88 0.66 3.9 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.661 ' O ' ' N ' ' B' ' 46' ' ' ASP . 22.8 t -53.48 -43.17 67.99 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 117.405 -1.718 . . . . 0.0 110.749 -174.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.48 -37.99 69.28 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 119.125 -1.512 . . . . 0.0 110.664 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -56.29 -39.62 72.99 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 35.8 mt -91.74 -72.7 0.57 Allowed 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.494 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.71 ' O ' ' N ' ' B' ' 48' ' ' GLN . 84.5 m-20 -109.39 -112.55 0.31 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.513 ' HB2' ' OG ' ' B' ' 42' ' ' SER . . . 31.08 -59.6 0.0 OUTLIER 'General case' 0 C--N 1.354 0.783 0 CA-C-N 113.281 -1.781 . . . . 0.0 114.015 -177.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.71 ' N ' ' O ' ' B' ' 46' ' ' ASP . 94.8 mt-30 -57.03 -35.96 69.91 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.62 -0.832 . . . . 0.0 110.395 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -90.36 -76.96 0.42 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.021 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -98.8 122.23 41.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.283 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.81 -38.89 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.725 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.435 ' OD1' ' C ' ' B' ' 52' ' ' ASP . 49.1 p30 -86.99 11.2 14.17 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -177.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.708 ' HB1' ' OD2' ' B' ' 46' ' ' ASP . . . -58.76 -27.71 65.23 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.556 HG21 ' HD3' ' B' ' 34' ' ' LYS . 70.8 t -56.32 -45.34 81.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.739 -178.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.488 ' OD1' ' CE ' ' B' ' 30' ' ' LYS . 87.2 m-20 -63.4 -40.77 98.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.392 0.615 . . . . 0.0 110.471 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -60.99 -41.78 97.12 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.865 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 23.0 m -76.03 -38.64 35.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 C-N-CA 119.291 -0.963 . . . . 0.0 111.863 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.533 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -63.03 -36.94 85.23 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.241 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -58.56 -40.93 84.46 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.522 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.19 -37.88 88.72 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.871 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.51 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 73.4 mt -67.0 -37.51 84.32 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.205 0.526 . . . . 0.0 110.492 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.88 32.89 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.052 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.54 -34.27 57.62 Favored 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.46 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.541 HD21 ' CG ' ' B' ' 66' ' ' ASP . 36.6 p-10 -58.71 -28.5 65.88 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.783 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.69 7.0 63.43 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.172 178.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.673 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.2 p30 -60.94 -35.03 75.67 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.709 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.673 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 93.25 -9.24 74.94 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -114.53 144.03 44.02 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.2 t -102.22 126.51 56.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.023 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -92.36 132.87 36.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.967 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.593 ' O ' HG23 ' B' ' 75' ' ' VAL . 86.3 t80 -50.37 -38.47 42.59 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.735 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.66 -40.43 87.7 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.582 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.51 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 99.7 mt-10 -67.35 -39.71 85.77 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.385 0.612 . . . . 0.0 110.252 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.411 ' CE2' HG21 ' B' ' 78' ' ' VAL . 81.8 t80 -63.97 -42.98 97.1 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.609 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 1.01 HG12 ' HB1' ' A' ' 79' ' ' ALA . 71.2 t -60.32 -42.35 90.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.059 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 78.8 t -61.95 -43.54 97.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 119.874 -0.731 . . . . 0.0 110.286 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.485 HD22 HD21 ' B' ' 61' ' ' LEU . 30.2 tp -63.31 -39.77 95.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.259 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.537 ' O ' HG22 ' B' ' 82' ' ' THR . 55.8 t -60.39 -38.72 78.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.894 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.992 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -59.7 -39.68 85.42 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.48 -46.0 61.02 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.201 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.563 ' N ' ' CD2' ' B' ' 81' ' ' LEU . 0.7 OUTLIER -67.26 -37.55 83.67 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.558 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.4 t -56.46 -41.55 76.71 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.95 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.79 -41.26 89.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.96 -31.3 72.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.454 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -54.83 -35.64 64.16 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.051 -179.592 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.448 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 18.8 t-20 -56.4 -36.86 69.38 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.17 0.51 . . . . 0.0 110.228 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.523 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 29.9 t . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.616 0.246 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.3 -36.39 83.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.79 -40.19 87.48 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.847 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.4 -40.43 94.34 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.9 m -64.73 -39.32 93.44 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.386 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.46 -48.52 72.39 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.0 mtm -58.19 -40.51 81.71 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 118.697 -1.201 . . . . 0.0 109.146 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.432 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 97.9 mt-10 -66.77 -36.66 82.94 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.428 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.41 ' O ' HG13 ' A' ' 14' ' ' VAL . 48.0 m -61.82 -42.88 99.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.211 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.61 -44.57 96.15 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.627 0.727 . . . . 0.0 110.558 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.92 -42.46 88.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.876 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 23.3 m120 -60.84 -40.5 93.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.244 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 10' ' ' THR . 21.1 m -75.57 -37.16 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.878 178.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.608 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 2.4 t80 -63.13 -50.1 71.77 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.515 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.85 -42.24 98.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.28 -41.6 99.0 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -177.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.694 ' HB2' HD21 ' A' ' 36' ' ' LEU . 97.3 m-70 -93.54 -28.69 15.92 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -178.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.4 p -61.95 -29.6 70.34 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.392 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.05 -27.62 62.67 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-N 115.3 -0.864 . . . . 0.0 114.227 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 22' ' ' GLU . 12.8 ptpt -57.75 -44.09 85.87 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -175.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.569 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 96.4 mt-10 -147.42 160.96 41.97 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.609 ' O ' ' O ' ' A' ' 24' ' ' ASP . . . 40.44 112.22 0.0 OUTLIER Glycine 0 CA--C 1.523 0.569 0 CA-C-N 114.758 -1.11 . . . . 0.0 113.36 177.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.609 ' O ' ' O ' ' A' ' 23' ' ' GLY . 91.5 m-20 33.13 112.24 0.0 OUTLIER 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.661 0.743 . . . . 0.0 112.511 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.62 -39.0 75.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.847 0.832 . . . . 0.0 109.791 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.59 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 3.1 m-30 -72.39 -24.1 61.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.067 -1.424 . . . . 0.0 112.758 -176.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 24' ' ' ASP . 52.2 mtpt -121.85 151.3 40.79 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.832 0.348 . . . . 0.0 111.565 -178.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -90.48 140.03 30.12 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.384 0.611 . . . . 0.0 111.237 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 t -93.95 154.55 17.62 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 177.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -54.23 -39.07 66.42 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 118.764 -1.175 . . . . 0.0 109.451 -177.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -60.45 -49.48 77.39 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.406 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.569 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.0 mt-10 -63.0 -39.09 93.7 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.856 -0.738 . . . . 0.0 110.425 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.46 -41.83 99.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 114.735 -1.121 . . . . 0.0 109.408 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.605 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -61.16 -46.31 91.03 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.516 177.487 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -67.78 -37.25 81.8 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.903 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 18' ' ' HIS . 60.5 mt -65.72 -46.53 78.6 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.941 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.454 HD21 ' OH ' ' A' ' 74' ' ' TYR . 67.8 mt -71.28 -46.24 61.31 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.411 -0.916 . . . . 0.0 111.368 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.605 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 64.4 tt0 -63.34 -42.71 98.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.748 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -81.67 -45.32 15.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.505 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 73.6 mm-40 -71.9 -35.92 69.85 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.928 -178.118 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.2 mt -124.66 65.94 1.09 Allowed 'General case' 0 C--O 1.24 0.576 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.309 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.1 p -58.82 -25.46 63.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.847 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.1 -70.05 1.33 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.809 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -58.83 -41.94 88.08 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -90.53 -4.13 57.13 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.862 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.52 ' C ' ' O ' ' A' ' 45' ' ' LEU . 21.6 t70 -26.68 87.54 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.422 0.63 . . . . 0.0 111.058 -178.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.588 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -66.05 -17.21 64.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.85 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -54.63 -36.06 64.12 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.526 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 88.3 mttt -59.66 -39.28 83.88 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.108 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.526 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.1 m-20 -142.83 87.84 2.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.071 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.47 -44.76 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.268 0.556 . . . . 0.0 111.331 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -60.02 -33.08 71.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.929 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.16 -27.68 62.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.044 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.419 ' O ' HG22 ' A' ' 57' ' ' VAL . 53.9 t -55.29 -45.61 77.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 119.586 -0.845 . . . . 0.0 109.659 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.47 -39.05 93.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.541 0.686 . . . . 0.0 110.27 177.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.77 -41.56 91.34 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.302 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 54' ' ' VAL . 24.5 m -76.35 -37.58 31.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 C-N-CA 119.381 -0.928 . . . . 0.0 111.746 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.563 ' SD ' ' C ' ' A' ' 58' ' ' MET . 0.6 OUTLIER -61.03 -37.02 81.09 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.484 -0.887 . . . . 0.0 109.706 179.061 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -57.83 -40.55 80.31 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.0 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.35 -36.2 83.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.39 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.766 HD21 HD22 ' A' ' 77' ' ' LEU . 86.5 mt -65.99 -37.41 85.87 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.589 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 53.4 t0 -77.62 90.13 3.94 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.419 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.75 -38.67 89.75 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.318 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.488 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 43.6 p-10 -90.97 0.11 57.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.54 30.72 73.13 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.481 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.589 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 51.6 p30 -87.45 6.61 33.14 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.438 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 65.4 -7.96 0.82 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' A' ' 66' ' ' ASP . 84.5 tt0 -109.96 143.59 39.69 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.2 t -105.79 131.66 54.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.308 0.575 . . . . 0.0 109.893 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 54.8 t0 -98.23 147.46 24.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.516 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.608 ' CE1' ' CD2' ' A' ' 15' ' ' PHE . 81.2 t80 -51.31 -38.2 51.68 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -58.7 -39.67 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.11 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.46 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -67.52 -41.48 84.34 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.336 0.589 . . . . 0.0 110.639 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.454 ' OH ' HD21 ' A' ' 37' ' ' LEU . 89.4 t80 -64.99 -43.96 90.89 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.992 HG12 ' HB1' ' B' ' 79' ' ' ALA . 77.7 t -62.03 -40.98 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.878 -178.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.64 -45.14 99.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.998 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.766 HD22 HD21 ' A' ' 61' ' ' LEU . 27.7 tp -67.15 -40.91 86.76 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.1 p -57.8 -33.59 45.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 119.164 -1.015 . . . . 0.0 110.318 -178.206 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.971 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -60.2 -40.95 91.87 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.097 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.76 -40.36 76.14 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.283 -0.567 . . . . 0.0 111.085 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.41 -39.45 94.54 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.4 t -59.97 -40.84 90.49 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.225 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.9 -41.06 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.599 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.85 76.25 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.241 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -55.7 -37.68 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.566 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.488 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 18.7 t-20 -57.26 -39.4 75.53 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.172 0.51 . . . . 0.0 110.593 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 CA--C 1.52 -0.176 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.594 -179.52 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.455 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 29.9 t . . . . . 0 CA--C 1.52 -0.194 0 CA-C-O 120.585 0.231 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.2 -36.54 84.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 34.7 tp -59.64 -40.31 87.24 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.908 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.31 -40.48 94.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.9 m -64.62 -39.41 93.65 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.422 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.41 -48.47 72.7 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.1 mtm -58.24 -40.45 81.77 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 118.626 -1.23 . . . . 0.0 109.229 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.435 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 97.9 mt-10 -66.76 -36.74 83.13 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.425 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.418 ' O ' HG13 ' B' ' 14' ' ' VAL . 46.6 m -61.65 -42.99 99.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.248 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.56 -44.57 96.01 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.588 0.709 . . . . 0.0 110.656 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.86 -42.45 89.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.957 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 23.3 m120 -60.91 -40.41 93.03 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.268 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.418 HG13 ' O ' ' B' ' 10' ' ' THR . 21.2 m -75.6 -37.17 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.907 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.603 ' CD2' ' CE1' ' B' ' 71' ' ' PHE . 2.4 t80 -63.05 -50.11 71.9 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.478 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.93 -42.2 98.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.62 98.98 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -177.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.684 ' HB2' HD21 ' B' ' 36' ' ' LEU . 97.4 m-70 -93.51 -28.68 15.93 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -178.05 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.8 p -61.92 -29.58 70.31 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.382 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.16 -27.48 62.74 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 115.295 -0.866 . . . . 0.0 114.245 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' B' ' 22' ' ' GLU . 12.8 ptpt -57.89 -44.04 86.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -175.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.56 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 96.4 mt-10 -147.38 160.9 42.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -179.025 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.606 ' O ' ' O ' ' B' ' 24' ' ' ASP . . . 40.53 112.19 0.0 OUTLIER Glycine 0 CA--C 1.523 0.538 0 CA-C-N 114.775 -1.102 . . . . 0.0 113.283 177.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.606 ' O ' ' O ' ' B' ' 23' ' ' GLY . 91.1 m-20 33.15 112.15 0.0 OUTLIER 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.673 0.749 . . . . 0.0 112.567 178.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -57.49 -39.1 75.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.796 0.808 . . . . 0.0 109.81 179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 3.1 m-30 -72.37 -24.1 61.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.019 -1.446 . . . . 0.0 112.774 -176.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' B' ' 24' ' ' ASP . 52.4 mtpt -121.88 151.36 40.77 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.816 0.341 . . . . 0.0 111.574 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -90.49 140.09 30.06 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.448 0.642 . . . . 0.0 111.237 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.5 t -93.99 154.58 17.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -54.29 -38.96 66.5 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.476 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -60.33 -49.64 76.78 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.404 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.56 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.1 mt-10 -63.0 -39.08 93.68 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.669 0.747 . . . . 0.0 110.506 -176.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.39 -41.92 99.02 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.431 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.588 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.9 OUTLIER -61.12 -46.32 91.05 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.512 177.485 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.479 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -67.9 -37.16 81.39 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.771 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.684 HD21 ' HB2' ' B' ' 18' ' ' HIS . 60.7 mt -65.77 -46.45 78.71 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.995 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.455 HD21 ' OH ' ' B' ' 74' ' ' TYR . 67.9 mt -71.29 -46.2 61.35 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.474 -0.89 . . . . 0.0 111.402 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.588 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.3 tt0 -63.31 -42.76 99.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.761 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.479 HG22 ' O ' ' B' ' 35' ' ' GLU . 1.0 OUTLIER -81.71 -45.25 15.95 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.422 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.523 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 73.6 mm-40 -71.98 -35.88 69.65 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 118.956 -1.098 . . . . 0.0 110.861 -178.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 74.3 mt -124.7 65.99 1.1 Allowed 'General case' 0 C--O 1.239 0.534 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.324 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -58.83 -25.4 63.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.921 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.11 -69.97 1.33 Allowed Glycine 0 CA--C 1.53 1.0 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.866 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -58.97 -41.79 88.4 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.6 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.7 OUTLIER -90.66 -4.1 57.03 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' B' ' 45' ' ' LEU . 21.8 t70 -26.76 87.68 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.506 0.67 . . . . 0.0 110.975 -178.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -66.08 -17.28 64.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.8 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -54.56 -36.16 64.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.521 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 88.3 mttt -59.64 -39.24 83.71 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.136 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.521 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.0 m-20 -142.82 87.87 2.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.155 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.6 -44.66 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.3 0.572 . . . . 0.0 111.317 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.02 -33.15 71.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.931 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.19 -27.59 62.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.404 . . . . 0.0 112.04 -178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.421 ' O ' HG22 ' B' ' 57' ' ' VAL . 53.9 t -55.28 -45.62 77.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.652 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.5 -39.03 93.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.529 0.681 . . . . 0.0 110.217 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.92 -41.41 91.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.318 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.421 HG22 ' O ' ' B' ' 54' ' ' VAL . 24.8 m -76.47 -37.39 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.71 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.564 ' C ' ' SD ' ' B' ' 58' ' ' MET . 0.6 OUTLIER -61.16 -36.97 81.22 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.421 -0.912 . . . . 0.0 109.719 179.048 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -57.79 -40.63 80.32 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 119.82 -0.752 . . . . 0.0 108.999 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.34 -36.17 83.21 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.468 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.775 HD21 HD22 ' B' ' 77' ' ' LEU . 86.5 mt -65.97 -37.36 85.78 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.59 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 53.4 t0 -77.72 90.31 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.326 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.94 -38.67 89.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.212 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.489 ' OD1' ' OD1' ' B' ' 62' ' ' ASP . 43.4 p-10 -90.94 0.23 57.57 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -177.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.47 30.68 73.26 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.464 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.59 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 51.5 p30 -87.38 6.69 32.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.486 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 65.38 -7.98 0.8 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.557 ' H ' ' C ' ' B' ' 66' ' ' ASP . 84.4 tt0 -109.94 143.68 39.55 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -105.83 131.62 54.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.294 0.569 . . . . 0.0 109.843 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 54.7 t0 -98.17 147.5 24.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.492 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.603 ' CE1' ' CD2' ' B' ' 15' ' ' PHE . 81.1 t80 -51.42 -38.12 51.98 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -58.73 -39.63 81.42 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.151 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.457 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 98.8 mt-10 -67.61 -41.46 83.97 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.326 0.584 . . . . 0.0 110.582 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.455 ' OH ' HD21 ' B' ' 37' ' ' LEU . 89.5 t80 -64.92 -44.1 90.61 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.971 HG12 ' HB1' ' A' ' 79' ' ' ALA . 77.8 t -61.97 -40.92 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.869 -178.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.75 -45.16 99.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.9 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.775 HD22 HD21 ' B' ' 61' ' ' LEU . 27.6 tp -67.07 -40.98 87.14 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.524 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.1 p -57.74 -33.76 46.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 C-N-CA 119.222 -0.991 . . . . 0.0 110.264 -178.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.992 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -60.01 -41.06 91.31 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.139 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.85 -40.26 75.89 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.014 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.9 mt -63.51 -39.35 94.2 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.542 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.4 t -60.03 -40.85 90.74 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 118.956 -1.098 . . . . 0.0 109.127 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.2 t -62.01 -40.94 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.86 76.32 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.264 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.542 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -55.67 -37.66 68.57 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.615 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.478 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 18.7 t-20 -57.35 -39.31 75.65 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.649 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 C--N 1.332 -0.166 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.592 -179.575 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 120.968 0.413 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.88 -35.91 79.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.62 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.452 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 37.1 tp -58.79 -40.29 83.58 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.685 -178.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.19 -40.34 89.71 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.04 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -64.96 -39.17 93.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.234 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.62 87.66 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mtm -57.85 -40.86 81.13 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 118.378 -1.329 . . . . 0.0 108.746 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.456 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 98.5 mt-10 -67.57 -35.72 79.56 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.924 178.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.5 m -62.27 -44.24 96.99 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.789 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.402 ' O ' HG22 ' A' ' 14' ' ' VAL . 78.6 mt -59.76 -45.21 92.94 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.919 0.866 . . . . 0.0 110.301 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.68 -38.68 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.497 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 28.1 m-20 -60.8 -40.88 94.34 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 11' ' ' LEU . 35.3 m -74.95 -39.88 45.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 119.519 -0.872 . . . . 0.0 111.073 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.588 ' CD1' HD13 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -63.43 -53.46 51.87 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.461 0.648 . . . . 0.0 111.029 178.478 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -61.78 -44.48 96.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.977 -1.01 . . . . 0.0 113.401 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.31 -52.97 41.9 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 119.846 -0.741 . . . . 0.0 112.753 -177.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.459 ' CG ' HD21 ' A' ' 36' ' ' LEU . 98.4 m-70 -69.57 -47.06 64.87 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.501 ' O ' ' O ' ' A' ' 22' ' ' GLU . 78.8 p -63.58 -28.52 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.426 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.79 -34.45 82.53 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.802 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.78 -41.39 86.57 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.176 -0.609 . . . . 0.0 110.975 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.579 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.0 mt-10 -153.09 160.38 42.91 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.509 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.01 34.44 52.54 Favored Glycine 0 CA--C 1.525 0.657 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.154 177.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 61.14 137.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.35 0.595 . . . . 0.0 111.219 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -58.82 -34.71 71.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.706 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 74.5 m-85 -100.85 9.61 42.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -176.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.588 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 41.8 tptt -124.62 137.55 54.37 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.589 ' O ' ' O ' ' A' ' 69' ' ' VAL . 8.0 tp -105.96 126.61 52.39 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.6 t -103.15 155.17 18.6 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.892 -0.505 . . . . 0.0 112.129 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -54.01 -40.43 67.0 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.128 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -58.91 -47.98 83.07 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.379 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.579 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 98.9 mt-10 -62.84 -41.57 99.39 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.578 -177.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.51 -40.9 98.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.068 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.707 ' HD3' HG11 ' A' ' 54' ' ' VAL . 9.0 tptp -61.48 -48.6 80.35 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.793 177.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.438 ' O ' HG22 ' A' ' 39' ' ' THR . 77.6 mm-40 -69.11 -38.98 79.2 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.518 -179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.459 HD21 ' CG ' ' A' ' 18' ' ' HIS . 89.5 mt -66.07 -47.12 75.31 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 119.701 -0.8 . . . . 0.0 112.19 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.552 HD21 ' OH ' ' A' ' 74' ' ' TYR . 50.5 mt -71.21 -44.56 65.16 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.385 -0.926 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -62.95 -42.0 99.68 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.487 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.457 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.2 t -83.06 -45.24 14.26 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.0 -0.68 . . . . 0.0 112.712 -178.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 39' ' ' THR . 95.4 mt-10 -71.68 -35.91 70.45 Favored 'General case' 0 CA--C 1.523 -0.067 0 C-N-CA 119.644 -0.822 . . . . 0.0 111.854 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 45' ' ' LEU . 61.5 mt -123.07 51.38 1.45 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.664 0.269 . . . . 0.0 110.49 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.9 p -57.9 -25.23 60.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.193 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.52 -69.64 1.35 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 121.101 -0.571 . . . . 0.0 111.742 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -58.51 -43.74 89.24 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.612 ' O ' ' N ' ' A' ' 47' ' ' ALA . 40.4 mt -93.09 -0.54 57.03 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.552 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 53.4 p30 -19.8 81.21 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 122.127 0.965 . . . . 0.0 112.183 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.612 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -64.07 -18.02 63.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.26 -1.336 . . . . 0.0 111.491 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -54.41 -34.54 61.54 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.44 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -58.89 -36.88 75.4 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.546 ' CG ' ' H ' ' A' ' 53' ' ' ALA . 63.8 t0 -142.57 96.71 2.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.048 -1.433 . . . . 0.0 111.168 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.405 ' O ' HG22 ' A' ' 54' ' ' VAL . 77.1 t -61.16 -40.53 86.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -60.7 -29.66 69.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.159 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.546 ' H ' ' CG ' ' A' ' 50' ' ' ASP . . . -52.77 -34.17 51.89 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.35 -0.54 . . . . 0.0 111.55 -176.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.707 HG11 ' HD3' ' A' ' 34' ' ' LYS . 4.2 m -60.0 -42.69 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 119.65 -0.82 . . . . 0.0 108.878 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.492 ' N ' HG23 ' A' ' 54' ' ' VAL . 56.0 t0 -64.38 -39.51 94.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.39 0.614 . . . . 0.0 110.281 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -60.18 -42.69 95.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.204 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.6 m -76.5 -36.27 28.03 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 C-N-CA 119.307 -0.957 . . . . 0.0 111.677 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.531 ' SD ' ' C ' ' A' ' 58' ' ' MET . 1.1 ppp? -62.39 -35.22 78.5 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.44 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -57.62 -40.84 80.09 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.948 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.9 -36.96 86.04 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.163 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.49 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 81.7 mt -66.5 -36.95 84.0 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.299 0.571 . . . . 0.0 110.375 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.524 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 99.4 m-20 -99.21 34.91 2.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.918 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -51.17 -30.3 16.38 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 121.425 0.631 . . . . 0.0 109.524 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.646 ' ND2' ' OE2' ' A' ' 73' ' ' GLU . 49.0 m-20 -52.67 -34.25 51.0 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.598 -178.165 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.73 2.47 63.02 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 -178.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.694 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.9 p30 -61.83 -35.68 78.97 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 114.968 -0.616 . . . . 0.0 111.963 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.694 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 92.81 -6.97 77.15 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.524 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 42.2 tp10 -119.3 148.49 43.11 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.589 ' O ' ' O ' ' A' ' 28' ' ' LEU . 43.6 t -110.32 133.99 53.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 CA-C-O 121.276 0.56 . . . . 0.0 111.653 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.588 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 87.4 m-20 -95.78 147.52 23.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.844 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.549 ' CZ ' ' CG1' ' A' ' 75' ' ' VAL . 87.5 t80 -53.61 -38.08 63.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.476 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.434 ' O ' HG22 ' A' ' 75' ' ' VAL . 63.1 tt0 -55.32 -40.65 71.41 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.098 -0.641 . . . . 0.0 109.513 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.646 ' OE2' ' ND2' ' A' ' 64' ' ' ASN . 98.9 mt-10 -67.17 -38.52 85.59 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.306 0.574 . . . . 0.0 109.941 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.83 ' O ' HG23 ' A' ' 78' ' ' VAL . 87.0 t80 -61.49 -43.61 98.55 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.667 ' HB ' ' HB1' ' B' ' 79' ' ' ALA . 35.1 m -67.2 -35.62 74.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.41 -46.53 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.237 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.411 ' HB2' HD21 ' A' ' 61' ' ' LEU . 31.3 tp -66.2 -38.95 89.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 74' ' ' TYR . 73.9 t -61.01 -41.11 87.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 C-N-CA 120.676 -0.409 . . . . 0.0 112.074 -178.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.672 ' HB1' ' HB ' ' B' ' 75' ' ' VAL . . . -62.2 -40.78 97.2 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.922 -178.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.96 -42.62 66.36 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.67 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -65.22 -41.93 93.93 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.868 -177.286 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 78' ' ' VAL . 1.2 t -58.71 -41.11 85.56 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.242 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.29 -41.85 91.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.48 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.27 71.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.547 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.553 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.7 OUTLIER -54.77 -35.83 64.22 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.593 -179.13 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.441 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 86.4 m-20 -56.71 -35.37 68.45 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.016 0.436 . . . . 0.0 110.273 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.897 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 98.2 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.884 0.373 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.91 -35.92 79.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.677 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.445 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 37.1 tp -58.69 -40.43 83.6 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.598 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.15 -40.31 89.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.105 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -65.0 -39.14 93.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.249 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.68 87.66 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.5 mtm -57.88 -40.82 81.15 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 118.289 -1.364 . . . . 0.0 108.725 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 98.5 mt-10 -67.58 -35.79 79.68 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.897 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 55.9 m -62.09 -44.36 96.83 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.769 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.8 -45.14 93.24 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-O 121.858 0.837 . . . . 0.0 110.326 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.4 mt -66.64 -38.7 82.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.436 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.449 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 28.5 m-20 -60.9 -40.91 94.88 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.007 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 35.3 m -74.88 -39.87 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 119.612 -0.835 . . . . 0.0 111.133 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.578 ' CD1' HD13 ' B' ' 28' ' ' LEU . 0.8 OUTLIER -63.54 -53.37 52.9 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.33 0.585 . . . . 0.0 110.996 178.489 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -61.82 -44.47 96.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.977 -1.011 . . . . 0.0 113.4 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.28 -53.03 41.48 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.878 -0.729 . . . . 0.0 112.714 -177.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.459 ' CG ' HD21 ' B' ' 36' ' ' LEU . 98.4 m-70 -69.6 -47.0 65.0 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.504 ' O ' ' O ' ' B' ' 22' ' ' GLU . 78.7 p -63.63 -28.49 69.95 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.411 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.77 -34.49 82.63 Favored Glycine 0 CA--C 1.521 0.445 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.804 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.65 -41.42 86.03 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.029 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.592 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.1 mt-10 -153.15 160.36 42.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.447 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.17 34.3 52.05 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.178 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 61.11 138.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.34 0.591 . . . . 0.0 111.283 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -58.78 -34.77 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.73 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 75.1 m-85 -100.88 9.69 42.01 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.578 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 41.7 tptt -124.66 137.55 54.36 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.593 ' O ' ' O ' ' B' ' 69' ' ' VAL . 8.0 tp -105.99 126.55 52.33 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 30.6 t -103.13 155.15 18.61 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.909 -0.495 . . . . 0.0 112.092 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -54.07 -40.4 67.15 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.063 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -58.94 -47.94 83.28 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.377 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.592 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 98.9 mt-10 -62.85 -41.59 99.41 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.579 -177.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.48 -40.84 97.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.172 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.722 ' HD3' HG11 ' B' ' 54' ' ' VAL . 9.0 tptp -61.6 -48.54 80.46 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.758 177.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.454 ' O ' HG22 ' B' ' 39' ' ' THR . 77.6 mm-40 -69.15 -38.97 79.06 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 120.291 -0.564 . . . . 0.0 112.495 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.459 HD21 ' CG ' ' B' ' 18' ' ' HIS . 89.8 mt -66.09 -47.1 75.33 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 119.674 -0.811 . . . . 0.0 112.164 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.542 HD21 ' OH ' ' B' ' 74' ' ' TYR . 50.8 mt -71.16 -44.56 65.25 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.326 -0.949 . . . . 0.0 111.158 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -62.84 -42.11 99.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.514 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.2 t -83.0 -45.24 14.31 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.712 -178.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' B' ' 39' ' ' THR . 95.4 mt-10 -71.74 -35.79 70.24 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 119.594 -0.843 . . . . 0.0 111.852 -177.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.477 HD12 ' CD1' ' B' ' 45' ' ' LEU . 61.9 mt -123.15 51.37 1.46 Allowed 'General case' 0 C--O 1.235 0.324 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.436 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -57.83 -25.25 60.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.207 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.59 -69.59 1.35 Allowed Glycine 0 CA--C 1.531 1.065 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.738 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -58.5 -43.67 89.18 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.619 ' O ' ' N ' ' B' ' 47' ' ' ALA . 40.3 mt -93.19 -0.4 56.89 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.561 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 53.8 p30 -19.81 81.19 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 122.095 0.95 . . . . 0.0 112.211 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.619 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -64.13 -18.0 64.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.412 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.29 -34.67 61.42 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.503 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -58.79 -36.97 75.32 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.55 ' CG ' ' H ' ' B' ' 53' ' ' ALA . 63.7 t0 -142.53 96.82 3.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.053 -1.43 . . . . 0.0 111.128 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.402 ' O ' HG22 ' B' ' 54' ' ' VAL . 78.0 t -61.27 -40.53 86.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.115 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -60.53 -29.83 69.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.579 -1.191 . . . . 0.0 112.265 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.55 ' H ' ' CG ' ' B' ' 50' ' ' ASP . . . -52.67 -34.11 50.34 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.58 -176.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.722 HG11 ' HD3' ' B' ' 34' ' ' LYS . 4.2 m -59.96 -42.84 90.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.492 ' N ' HG23 ' B' ' 54' ' ' VAL . 56.0 t0 -64.24 -39.58 94.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.506 0.67 . . . . 0.0 110.354 177.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -60.13 -42.6 95.16 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.306 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 20.9 m -76.56 -36.36 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 C-N-CA 119.371 -0.931 . . . . 0.0 111.592 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.531 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.1 ppp? -62.2 -35.34 78.56 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.433 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -57.56 -40.91 79.97 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.916 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.89 -36.97 86.06 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.206 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.489 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 81.6 mt -66.4 -36.95 84.14 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.379 0.609 . . . . 0.0 110.49 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.525 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 99.6 m-20 -99.26 34.96 2.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.963 -178.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -51.08 -30.32 15.61 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-O 121.422 0.63 . . . . 0.0 109.592 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.649 ' ND2' ' OE2' ' B' ' 73' ' ' GLU . 49.9 m-20 -52.81 -34.19 52.57 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.559 -178.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.86 2.38 62.82 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 109.117 -1.593 . . . . 0.0 109.117 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.689 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.7 p30 -61.77 -35.73 78.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.04 -0.58 . . . . 0.0 112.011 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.689 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 92.78 -6.94 77.22 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.525 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 42.3 tp10 -119.34 148.49 43.13 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.593 ' O ' ' O ' ' B' ' 28' ' ' LEU . 43.4 t -110.32 133.96 54.04 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-O 121.325 0.583 . . . . 0.0 111.638 -178.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.578 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 87.2 m-20 -95.79 147.47 23.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.876 178.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.55 ' CE2' ' CG1' ' B' ' 75' ' ' VAL . 87.6 t80 -53.53 -38.09 63.44 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.515 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG22 ' B' ' 75' ' ' VAL . 63.2 tt0 -55.37 -40.63 71.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.482 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.649 ' OE2' ' ND2' ' B' ' 64' ' ' ASN . 99.0 mt-10 -67.11 -38.54 85.82 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.325 0.583 . . . . 0.0 109.991 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.838 ' O ' HG23 ' B' ' 78' ' ' VAL . 87.0 t80 -61.44 -43.62 98.54 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.672 ' HB ' ' HB1' ' A' ' 79' ' ' ALA . 35.2 m -67.34 -35.53 73.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -178.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.44 -46.56 96.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.275 -0.97 . . . . 0.0 110.248 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.42 ' HB2' HD21 ' B' ' 61' ' ' LEU . 31.4 tp -66.18 -38.87 89.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.979 178.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.838 HG23 ' O ' ' B' ' 74' ' ' TYR . 73.0 t -60.99 -41.21 88.23 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 C-N-CA 120.615 -0.434 . . . . 0.0 112.051 -178.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.667 ' HB1' ' HB ' ' A' ' 75' ' ' VAL . . . -62.11 -40.73 96.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.997 -178.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.03 -42.5 66.26 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.675 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.48 HD13 ' O ' ' B' ' 81' ' ' LEU . 0.1 OUTLIER -65.3 -41.9 93.62 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.843 -177.246 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.699 HG22 ' O ' ' B' ' 78' ' ' VAL . 1.2 t -58.78 -41.1 85.87 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.216 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.23 -41.95 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.505 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.34 71.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.54 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.566 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.7 OUTLIER -54.64 -35.89 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.669 -179.168 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.451 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 86.3 m-20 -56.7 -35.34 68.39 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.997 0.427 . . . . 0.0 110.299 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 . . . . . 0 CA--C 1.517 -0.295 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.689 0.28 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.86 -36.08 80.17 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.999 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.507 HD22 ' OE1' ' B' ' 40' ' ' GLU . 34.9 tp -59.18 -40.3 85.24 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.827 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.36 -38.62 87.64 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.3 m -65.03 -41.03 95.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.574 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.03 -50.09 65.41 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 ppp? -57.36 -42.39 81.95 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.179 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -64.81 -37.22 86.87 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.573 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.1 m -60.54 -41.68 94.97 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.734 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 14' ' ' VAL . 83.7 mt -57.17 -44.31 83.41 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 122.034 0.921 . . . . 0.0 109.547 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.451 HD13 HD21 ' B' ' 86' ' ' ASN . 76.7 mt -66.44 -39.26 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.529 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -59.73 -40.91 89.63 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.339 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 11' ' ' LEU . 34.9 m -74.42 -36.24 41.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.068 0 C-N-CA 119.944 -0.703 . . . . 0.0 109.783 178.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.694 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 91.4 t80 -58.79 -50.07 75.33 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.28 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.47 -45.29 94.89 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.87 -53.2 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -177.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.551 ' CB ' HD21 ' A' ' 36' ' ' LEU . 98.1 m-70 -68.34 -46.51 69.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 94.0 p -61.86 -32.03 72.35 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.325 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.78 -31.31 77.69 Favored Glycine 0 CA--C 1.522 0.509 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.071 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.417 ' NZ ' ' HA ' ' A' ' 18' ' ' HIS . 63.9 mttp -57.16 -38.54 73.72 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -177.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 78.0 mm-40 -135.92 147.95 48.33 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.829 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.33 -137.17 49.79 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.091 -0.958 . . . . 0.0 112.997 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -81.09 132.13 35.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.65 -0.775 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' O ' ' OG ' ' A' ' 19' ' ' SER . 63.8 mttp -56.25 -32.29 64.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.377 -178.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 76.6 m-85 -103.02 11.65 37.02 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -176.153 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.609 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 6.8 tptt -134.11 137.74 44.77 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.473 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.9 mt -95.36 139.61 31.41 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.43 0.633 . . . . 0.0 110.797 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -103.15 159.35 15.61 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -52.07 -38.86 58.54 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.673 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -61.57 -50.38 72.86 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.119 -0.633 . . . . 0.0 112.022 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.524 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.9 mt-10 -63.18 -41.11 99.16 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.202 -176.303 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.16 -41.34 99.24 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.629 -1.169 . . . . 0.0 109.363 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.606 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 2.2 tptp -60.21 -46.08 90.98 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.053 178.193 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 39' ' ' THR . 77.8 mm-40 -68.07 -38.51 82.48 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.962 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.551 HD21 ' CB ' ' A' ' 18' ' ' HIS . 92.8 mt -65.51 -47.16 76.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 119.464 -0.894 . . . . 0.0 112.582 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.598 HD11 ' CE1' ' A' ' 74' ' ' TYR . 7.9 mp -71.14 -43.84 66.75 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.161 -1.016 . . . . 0.0 111.55 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.606 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.9 tt0 -62.87 -41.66 99.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.6 t -83.45 -45.92 13.08 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.742 -178.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.537 ' C ' HD12 ' A' ' 41' ' ' LEU . 95.8 mt-10 -72.43 -34.09 67.55 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 119.953 -0.699 . . . . 0.0 111.843 -178.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 41' ' ' LEU . 6.9 mp -118.23 37.25 4.06 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.26 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.0 t -53.38 -35.52 60.43 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.34 -178.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.66 -57.31 5.5 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.648 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -64.52 -46.59 82.28 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 46' ' ' ASP . 7.1 mp -91.78 -0.48 57.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' A' ' 45' ' ' LEU . 55.9 t0 -24.21 130.92 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.752 0.787 . . . . 0.0 111.878 -177.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.541 ' O ' HG22 ' A' ' 51' ' ' VAL . . . -65.99 -17.54 64.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.341 -1.299 . . . . 0.0 111.884 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -54.47 -34.3 61.27 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.787 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -120.47 143.26 48.61 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 56.52 50.42 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.35 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 47' ' ' ALA . 49.2 t -51.69 -39.59 24.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.633 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -77.25 7.11 5.54 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.473 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.57 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.43 -33.66 69.93 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.612 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.6 t -59.98 -46.02 94.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.341 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.54 -43.89 97.68 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.41 0.624 . . . . 0.0 110.597 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HZ3' ' HA ' ' A' ' 53' ' ' ALA . 16.2 mtmm -62.78 -40.3 96.88 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.404 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 53' ' ' ALA . 73.1 t -66.33 -46.66 86.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.079 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.517 ' SD ' ' C ' ' A' ' 58' ' ' MET . 2.6 ppp? -67.67 -36.81 81.39 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.667 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -59.24 -43.15 92.4 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.566 -0.454 . . . . 0.0 112.035 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.65 -38.39 89.21 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.756 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.498 ' HB3' HG13 ' A' ' 69' ' ' VAL . 96.1 mt -67.6 -35.9 79.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.756 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.528 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 97.7 m-20 -95.41 34.74 1.4 Allowed 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -51.05 -30.4 15.51 Favored 'General case' 0 CA--C 1.5 -0.973 0 CA-C-O 121.51 0.671 . . . . 0.0 109.204 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.598 ' ND2' ' OE2' ' A' ' 73' ' ' GLU . 43.4 m-20 -53.03 -33.73 53.17 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.38 -178.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.97 2.57 60.94 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.699 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.5 p30 -61.62 -35.7 78.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.955 -0.623 . . . . 0.0 111.757 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.699 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.27 -13.25 67.69 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.528 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 83.7 tt0 -122.05 151.21 41.1 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 61' ' ' LEU . 61.4 t -101.55 132.39 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -177.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.609 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 84.7 m-20 -82.7 144.29 30.33 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.287 177.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.694 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 84.3 t80 -55.35 -41.36 72.42 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.763 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.43 -41.63 85.47 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.555 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.598 ' OE2' ' ND2' ' A' ' 64' ' ' ASN . 99.2 mt-10 -66.42 -39.95 89.24 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.978 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.598 ' CE1' HD11 ' A' ' 37' ' ' LEU . 56.2 t80 -64.5 -42.12 96.02 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 1.033 HG12 ' HB1' ' B' ' 79' ' ' ALA . 89.9 t -60.43 -40.22 83.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.249 -178.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.0 t -64.14 -45.85 95.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.577 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.475 ' HB2' HD21 ' A' ' 61' ' ' LEU . 32.3 tp -66.86 -41.14 87.8 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.9 p -58.79 -33.59 49.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.068 -178.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 1.039 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -59.81 -40.0 86.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.03 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.76 77.05 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.792 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.53 -39.28 94.01 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 112.629 0.604 . . . . 0.0 112.629 -178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -62.3 -42.62 99.51 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 119.12 -1.032 . . . . 0.0 110.181 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.1 t -63.82 -41.8 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.149 0.499 . . . . 0.0 109.881 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.25 73.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.055 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 74.4 m -54.75 -39.97 68.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.852 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.445 HD21 HD13 ' B' ' 12' ' ' ILE . 22.8 m120 -59.53 -36.26 75.77 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.729 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 . . . . . 0 C--N 1.33 -0.252 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.369 -179.32 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.731 0.3 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.99 -36.01 80.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.919 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.504 HD22 ' OE1' ' A' ' 40' ' ' GLU . 35.1 tp -59.18 -40.28 85.17 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.86 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.35 -38.65 87.71 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.308 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.1 m -64.97 -41.01 95.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.592 178.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.03 -50.11 65.34 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' B' ' 9' ' ' GLU . 1.3 ppp? -57.28 -42.46 81.7 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.221 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.4 ' N ' ' SD ' ' B' ' 8' ' ' MET . 83.9 tt0 -64.86 -37.13 86.58 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.563 178.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.8 m -60.62 -41.62 95.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.762 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.447 ' O ' HG22 ' B' ' 14' ' ' VAL . 83.6 mt -57.11 -44.39 83.19 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 122.035 0.922 . . . . 0.0 109.557 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.445 HD13 HD21 ' A' ' 86' ' ' ASN . 76.5 mt -66.42 -39.27 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.483 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -59.8 -40.8 89.58 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.392 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.447 HG22 ' O ' ' B' ' 11' ' ' LEU . 35.0 m -74.49 -36.3 41.26 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.057 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.707 178.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.692 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 91.5 t80 -58.83 -50.0 75.61 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.225 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.54 -45.29 94.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.84 -53.15 23.05 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.554 ' CB ' HD21 ' B' ' 36' ' ' LEU . 98.1 m-70 -68.37 -46.53 69.82 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 94.5 p -61.89 -31.97 72.31 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.348 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.86 -31.14 77.27 Favored Glycine 0 CA--C 1.523 0.59 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.075 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' B' ' 18' ' ' HIS . 64.0 mttp -57.29 -38.52 74.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.508 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 78.0 mm-40 -135.91 147.97 48.36 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.835 0.679 . . . . 0.0 112.835 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.28 -137.21 49.69 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 115.033 -0.985 . . . . 0.0 113.008 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -81.11 132.1 35.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 114.604 -0.798 . . . . 0.0 110.84 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.45 ' O ' ' OG ' ' B' ' 19' ' ' SER . 63.8 mttp -56.21 -32.28 64.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.377 -178.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 76.9 m-85 -103.08 11.67 36.89 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -176.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.581 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 6.8 tptt -134.17 137.78 44.69 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.403 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 85.1 mt -95.37 139.57 31.47 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.419 0.628 . . . . 0.0 110.779 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.2 m -103.12 159.3 15.65 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -52.03 -38.78 58.14 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 118.767 -1.173 . . . . 0.0 108.783 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -61.66 -50.27 73.17 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.075 -0.65 . . . . 0.0 112.064 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.508 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.9 mt-10 -63.13 -41.17 99.26 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.19 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.11 -41.45 99.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.344 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.608 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 2.2 tptp -60.21 -46.06 91.04 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.974 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.451 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -68.19 -38.44 81.98 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.898 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.554 HD21 ' CB ' ' B' ' 18' ' ' HIS . 92.9 mt -65.52 -47.18 76.84 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 119.467 -0.893 . . . . 0.0 112.591 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.595 HD11 ' CE1' ' B' ' 74' ' ' TYR . 7.9 mp -71.08 -43.9 66.8 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.226 -0.99 . . . . 0.0 111.516 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.608 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.0 tt0 -62.9 -41.64 99.5 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.6 t -83.45 -45.99 13.02 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.041 -0.664 . . . . 0.0 112.677 -178.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.532 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.8 mt-10 -72.46 -34.0 67.44 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.841 -178.077 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.555 HD12 ' N ' ' B' ' 41' ' ' LEU . 6.9 mp -118.16 37.05 4.12 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.0 t -53.27 -35.54 60.16 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.351 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.72 -57.25 5.49 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.675 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -64.44 -46.56 82.64 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -178.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' B' ' 46' ' ' ASP . 7.1 mp -91.9 -0.44 57.5 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' B' ' 45' ' ' LEU . 55.8 t0 -24.22 130.86 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.735 0.778 . . . . 0.0 111.954 -177.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.534 ' O ' HG22 ' B' ' 51' ' ' VAL . . . -65.91 -17.57 64.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.869 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -54.48 -34.29 61.3 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.751 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -120.43 143.22 48.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 56.53 50.53 12.75 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.285 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.534 HG22 ' O ' ' B' ' 47' ' ' ALA . 48.9 t -51.8 -39.48 24.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.691 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -77.19 7.04 5.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.504 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.566 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -58.35 -33.69 69.83 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.596 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.04 -46.05 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.282 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.54 -43.85 97.79 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.64 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.416 ' HZ3' ' HA ' ' B' ' 53' ' ' ALA . 16.2 mtmm -62.73 -40.42 97.13 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.365 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 53' ' ' ALA . 72.5 t -66.31 -46.58 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.187 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.512 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.6 ppp? -67.72 -36.83 81.32 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.666 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -59.13 -43.28 91.98 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.535 -0.466 . . . . 0.0 112.095 -178.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.48 -38.43 89.75 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.789 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.507 ' HB3' HG13 ' B' ' 69' ' ' VAL . 96.0 mt -67.59 -35.95 79.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.736 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.527 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 97.7 m-20 -95.43 34.73 1.41 Allowed 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.95 -30.54 15.16 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.584 ' ND2' ' OE2' ' B' ' 73' ' ' GLU . 42.7 m-20 -52.96 -33.63 52.08 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.489 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.95 2.48 61.01 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 108.849 -1.7 . . . . 0.0 108.849 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.688 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.4 p30 -61.61 -35.74 78.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.99 -0.605 . . . . 0.0 111.801 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.688 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.4 -13.26 67.63 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.527 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 83.7 tt0 -122.07 151.17 41.16 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.507 HG13 ' HB3' ' B' ' 61' ' ' LEU . 61.2 t -101.6 132.37 47.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -177.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.581 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 84.8 m-20 -82.67 144.28 30.37 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.236 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.692 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 84.2 t80 -55.42 -41.31 72.6 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.757 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.41 -41.67 85.47 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.46 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.584 ' OE2' ' ND2' ' B' ' 64' ' ' ASN . 99.2 mt-10 -66.53 -39.89 88.85 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.916 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.595 ' CE1' HD11 ' B' ' 37' ' ' LEU . 56.4 t80 -64.44 -42.19 96.14 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 1.039 HG12 ' HB1' ' A' ' 79' ' ' ALA . 90.2 t -60.47 -40.17 83.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.211 -178.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 63.8 t -64.17 -45.74 95.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.609 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.49 ' HB2' HD21 ' B' ' 61' ' ' LEU . 32.4 tp -67.04 -41.06 87.16 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -178.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.476 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.9 p -58.78 -33.53 49.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.109 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 1.033 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -59.77 -40.07 87.01 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.012 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.42 -40.78 77.07 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.778 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.444 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 69.1 mt -63.54 -39.22 93.84 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -178.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -62.3 -42.68 99.56 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.21 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 94.9 t -63.87 -41.7 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.115 0.483 . . . . 0.0 109.892 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.29 73.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.04 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 74.7 m -54.81 -39.98 69.05 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.84 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.451 HD21 HD13 ' A' ' 12' ' ' ILE . 22.7 m120 -59.37 -36.39 75.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.721 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 CA--C 1.516 -0.337 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.469 -179.358 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.533 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 58.8 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.678 0.275 . . . . 0.0 110.647 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -63.19 -35.96 82.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.062 0.458 . . . . 0.0 110.36 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.528 HD23 ' C ' ' A' ' 4' ' ' LEU . 8.5 tt -60.08 -42.74 95.26 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.344 -177.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.51 -40.16 93.62 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 119.809 -0.756 . . . . 0.0 109.122 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.3 m -63.97 -38.11 89.89 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.338 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.24 96.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.315 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mtm -57.49 -41.26 80.37 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 117.851 -1.539 . . . . 0.0 108.857 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 98.4 mt-10 -68.47 -36.92 79.66 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.639 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.9 m -62.54 -44.24 96.84 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.401 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.403 ' O ' ' CD2' ' A' ' 15' ' ' PHE . 84.4 mt -59.9 -46.79 88.23 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.81 0.815 . . . . 0.0 110.391 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.438 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 81.0 mt -64.32 -39.73 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.308 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.448 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 26.8 m-20 -60.62 -40.49 92.08 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.361 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 15' ' ' PHE . 26.9 m -76.53 -47.41 29.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 119.407 -0.917 . . . . 0.0 112.481 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.433 ' N ' HG23 ' A' ' 14' ' ' VAL . 59.3 m-85 -66.32 -42.41 88.28 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 119.735 -0.786 . . . . 0.0 110.6 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 39.4 t-80 -61.29 -45.29 95.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.748 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.52 -52.0 36.84 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.617 ' HB2' HD11 ' A' ' 36' ' ' LEU . 37.5 m80 -62.47 -42.97 99.86 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.503 ' O ' ' O ' ' A' ' 22' ' ' GLU . 85.1 p -61.6 -30.99 71.04 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.02 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.36 -33.25 80.04 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -57.9 -38.55 76.02 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.207 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.503 ' O ' ' O ' ' A' ' 19' ' ' SER . 77.3 mm-40 -131.66 148.42 52.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.933 0.397 . . . . 0.0 111.174 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.98 -162.6 2.39 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -71.59 143.86 49.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.848 0.356 . . . . 0.0 111.006 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -58.94 -39.94 83.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.766 0.794 . . . . 0.0 110.803 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.578 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 3.0 m-30 -72.18 -23.93 61.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.187 -1.369 . . . . 0.0 112.803 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -113.31 142.21 46.11 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 28' ' ' LEU . 83.7 mt -104.15 133.58 48.84 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 113.515 -1.675 . . . . 0.0 106.962 173.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.2 m -100.9 164.16 11.96 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.554 ' CE ' ' OD1' ' A' ' 55' ' ' ASP . 63.5 tttm -52.23 -42.57 63.7 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 118.713 -1.195 . . . . 0.0 110.09 -177.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.94 -49.39 76.34 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.864 -0.734 . . . . 0.0 112.003 177.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.499 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.8 mt-10 -62.45 -39.59 93.86 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.569 -175.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.426 HD21 HD12 ' A' ' 37' ' ' LEU . 9.3 tt -62.61 -40.49 97.13 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 114.475 -1.238 . . . . 0.0 109.308 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.601 ' HD3' HG21 ' A' ' 54' ' ' VAL . 7.4 tptp -60.61 -48.32 82.29 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.665 177.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.438 ' O ' HG22 ' A' ' 39' ' ' THR . 77.6 mm-40 -68.25 -37.04 80.36 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.884 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' A' ' 18' ' ' HIS . 1.5 mm? -67.65 -50.66 56.76 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.016 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.538 HD21 ' OH ' ' A' ' 74' ' ' TYR . 47.0 mt -69.41 -40.1 77.51 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 119.663 -0.815 . . . . 0.0 111.099 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' ' 34' ' ' LYS . 20.4 tt0 -63.13 -42.08 99.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.221 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 3.2 t -83.87 -44.54 14.18 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.155 -0.618 . . . . 0.0 112.426 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.579 ' C ' HD12 ' A' ' 41' ' ' LEU . 78.0 mm-40 -70.93 -34.78 71.84 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.284 -178.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.579 HD12 ' C ' ' A' ' 40' ' ' GLU . 7.0 mp -123.49 48.42 1.85 Allowed 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.291 179.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -57.14 -25.11 58.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.776 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.96 -68.72 1.29 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.461 ' CE1' ' HA ' ' A' ' 85' ' ' CYS . 75.0 t80 -57.94 -45.44 86.6 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -177.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 46' ' ' ASP . 71.9 mt -93.39 -0.72 56.44 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.534 ' C ' ' O ' ' A' ' 45' ' ' LEU . 58.4 t0 -25.94 118.02 0.07 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.358 0.599 . . . . 0.0 111.23 -178.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.39 -22.41 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.738 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -55.52 -35.28 65.46 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.488 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -59.38 -41.6 89.74 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.741 ' HB3' ' HB2' ' A' ' 53' ' ' ALA . 60.6 t0 -147.39 119.68 8.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.235 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.27 -40.49 89.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 48.9 p30 -89.77 9.11 28.55 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.741 ' HB2' ' HB3' ' A' ' 50' ' ' ASP . . . -60.7 -33.34 72.73 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.82 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.601 HG21 ' HD3' ' A' ' 34' ' ' LYS . 77.1 t -60.24 -44.78 96.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -177.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.554 ' OD1' ' CE ' ' A' ' 30' ' ' LYS . 83.8 m-20 -60.69 -43.43 97.74 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.755 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -63.05 -38.35 90.83 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.477 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 53' ' ' ALA . 60.0 t -64.01 -48.25 86.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.174 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.711 ' HA ' HD23 ' A' ' 61' ' ' LEU . 2.9 ppp? -74.58 -38.3 62.69 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-O 122.315 1.055 . . . . 0.0 113.308 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' N ' ' CG ' ' A' ' 58' ' ' MET . 54.6 tptt -63.0 -42.78 99.94 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 114.745 -1.116 . . . . 0.0 113.823 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.16 -32.44 72.71 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.026 HD11 HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -68.15 -39.34 82.65 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 110.604 -2.998 . . . . 0.0 111.424 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.481 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 52.6 t0 -82.61 92.25 7.1 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 118.93 -1.108 . . . . 0.0 110.92 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -67.41 -39.14 85.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.102 0.477 . . . . 0.0 112.121 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.486 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 23.4 m120 -59.02 -37.16 76.29 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.564 -0.743 . . . . 0.0 112.394 -177.03 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.37 4.99 80.05 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 107.665 -2.174 . . . . 0.0 107.665 -177.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.2 p30 -62.41 -32.44 73.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 113.773 -1.214 . . . . 0.0 112.594 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.662 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.94 -10.3 62.08 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.513 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 84.3 tt0 -112.25 140.85 46.62 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.026 HG13 HD11 ' A' ' 61' ' ' LEU . 69.4 t -102.66 131.28 51.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.688 0.756 . . . . 0.0 112.563 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -90.08 145.47 25.04 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.332 -1.304 . . . . 0.0 107.968 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.535 ' O ' HG13 ' A' ' 75' ' ' VAL . 72.6 t80 -54.43 -39.44 67.36 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.728 -0.789 . . . . 0.0 109.64 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.42 -39.7 88.36 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.289 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.486 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.5 mt-10 -68.4 -41.15 80.89 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.005 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.538 ' OH ' HD21 ' A' ' 37' ' ' LEU . 62.1 t80 -64.79 -43.34 93.54 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 71' ' ' PHE . 20.3 m -65.64 -35.9 76.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.863 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.457 HG13 HG13 ' B' ' 76' ' ' VAL . 68.3 t -61.64 -45.24 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.184 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.429 HD22 ' HB2' ' A' ' 61' ' ' LEU . 33.7 tp -65.19 -39.77 93.3 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.647 179.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.456 HG21 ' CE2' ' A' ' 74' ' ' TYR . 49.7 t -62.16 -38.17 80.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.412 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -56.01 -39.46 71.94 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.105 -177.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.1 -42.9 75.51 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.407 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.39 -38.02 89.58 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.557 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -60.09 -38.01 81.64 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 119.571 -0.852 . . . . 0.0 110.052 -179.445 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.03 -42.95 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -34.54 78.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.443 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.557 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -59.54 -33.15 71.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.286 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -54.87 -36.99 65.69 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.867 0.365 . . . . 0.0 110.806 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.917 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.517 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 58.4 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.633 0.254 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -63.19 -35.94 81.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.042 0.449 . . . . 0.0 110.375 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.522 ' C ' HD23 ' B' ' 4' ' ' LEU . 8.5 tt -60.09 -42.76 95.32 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.398 -177.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.55 -40.1 93.47 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.163 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.0 m -64.01 -38.09 89.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.348 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.24 96.14 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.242 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mtm -57.51 -41.2 80.33 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 117.866 -1.534 . . . . 0.0 108.845 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 98.4 mt-10 -68.5 -36.93 79.6 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.659 178.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.3 m -62.56 -44.26 96.78 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.394 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -59.84 -46.78 88.19 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.734 0.778 . . . . 0.0 110.434 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' B' ' 16' ' ' HIS . 80.7 mt -64.36 -39.68 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.379 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 26.9 m-20 -60.67 -40.44 92.09 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.364 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.431 HG23 ' N ' ' B' ' 15' ' ' PHE . 26.8 m -76.63 -47.31 29.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 119.367 -0.933 . . . . 0.0 112.454 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.431 ' N ' HG23 ' B' ' 14' ' ' VAL . 58.8 m-85 -66.37 -42.31 88.17 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.625 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.44 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 39.5 t-80 -61.36 -45.29 95.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.705 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.65 -51.89 37.14 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.634 ' HB2' HD11 ' B' ' 36' ' ' LEU . 37.4 m80 -62.44 -42.94 99.82 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.509 ' O ' ' O ' ' B' ' 22' ' ' GLU . 85.3 p -61.62 -30.96 71.04 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.012 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.44 -33.19 80.22 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.382 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -57.79 -38.59 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.168 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.509 ' O ' ' O ' ' B' ' 19' ' ' SER . 77.2 mm-40 -131.77 148.47 52.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.943 0.401 . . . . 0.0 111.127 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.8 -162.52 2.31 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -71.58 143.8 49.73 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.474 -0.363 . . . . 0.0 111.057 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -58.79 -40.02 82.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.763 0.792 . . . . 0.0 110.784 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.589 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 3.0 m-30 -72.22 -23.87 61.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.257 -1.338 . . . . 0.0 112.779 -175.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -113.35 142.25 46.09 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 28' ' ' LEU . 84.1 mt -104.11 133.56 48.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 113.617 -1.629 . . . . 0.0 106.992 173.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 41.1 m -100.96 164.1 11.98 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.56 ' CE ' ' OD1' ' B' ' 55' ' ' ASP . 63.4 tttm -52.18 -42.61 63.59 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 118.728 -1.189 . . . . 0.0 110.07 -177.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.94 -49.37 76.42 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.987 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.506 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.8 mt-10 -62.48 -39.55 93.82 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.613 -175.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.437 HD21 HD12 ' B' ' 37' ' ' LEU . 9.3 tt -62.56 -40.54 97.17 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.334 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.581 ' HD3' HG21 ' B' ' 54' ' ' VAL . 7.4 tptp -60.56 -48.41 81.89 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.66 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.435 ' O ' HG22 ' B' ' 39' ' ' THR . 77.7 mm-40 -68.17 -37.05 80.55 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.114 -0.635 . . . . 0.0 111.911 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.634 HD11 ' HB2' ' B' ' 18' ' ' HIS . 1.5 mm? -67.65 -50.71 56.54 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.988 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.54 HD21 ' OH ' ' B' ' 74' ' ' TYR . 47.4 mt -69.37 -40.15 77.63 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.127 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.411 ' CB ' ' O ' ' B' ' 34' ' ' LYS . 20.3 tt0 -63.1 -42.01 99.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.189 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.482 HG23 ' N ' ' B' ' 40' ' ' GLU . 3.2 t -83.91 -44.61 14.07 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.146 -0.621 . . . . 0.0 112.415 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.575 ' C ' HD12 ' B' ' 41' ' ' LEU . 78.0 mm-40 -70.9 -34.75 71.88 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.319 -178.045 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.575 HD12 ' C ' ' B' ' 40' ' ' GLU . 6.9 mp -123.51 48.32 1.87 Allowed 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.354 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -56.98 -25.21 57.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.837 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.97 -68.66 1.29 Allowed Glycine 0 CA--C 1.531 1.088 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.456 ' CE1' ' HA ' ' B' ' 85' ' ' CYS . 75.1 t80 -57.98 -45.41 86.81 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.53 ' O ' ' C ' ' B' ' 46' ' ' ASP . 71.8 mt -93.29 -0.89 56.57 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.53 ' C ' ' O ' ' B' ' 45' ' ' LEU . 58.3 t0 -25.8 118.03 0.07 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.354 0.597 . . . . 0.0 111.287 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.43 -22.41 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.795 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -55.52 -35.33 65.51 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.582 -178.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -59.27 -41.71 89.5 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.73 ' HB3' ' HB2' ' B' ' 53' ' ' ALA . 60.6 t0 -147.29 119.64 8.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.257 178.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.22 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.44 ' OD1' ' C ' ' B' ' 52' ' ' ASP . 48.9 p30 -89.78 9.05 28.79 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -178.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.73 ' HB2' ' HB3' ' B' ' 50' ' ' ASP . . . -60.65 -33.43 72.8 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.827 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.581 HG21 ' HD3' ' B' ' 34' ' ' LYS . 77.6 t -60.13 -44.85 96.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.56 ' OD1' ' CE ' ' B' ' 30' ' ' LYS . 83.8 m-20 -60.65 -43.35 97.71 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.816 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -63.13 -38.4 91.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.406 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 53' ' ' ALA . 59.1 t -63.99 -48.24 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.217 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.705 ' HA ' HD23 ' B' ' 61' ' ' LEU . 2.9 ppp? -74.55 -38.37 62.74 Favored 'General case' 0 C--O 1.206 -1.211 0 CA-C-O 122.236 1.017 . . . . 0.0 113.259 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.422 ' N ' ' CG ' ' B' ' 58' ' ' MET . 54.7 tptt -62.95 -42.78 99.92 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.767 -1.106 . . . . 0.0 113.803 -176.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.13 -32.43 72.7 Favored 'General case' 0 CA--C 1.489 -1.374 0 CA-C-O 123.652 1.691 . . . . 0.0 106.496 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 1.014 HD11 HG13 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -68.19 -39.32 82.53 Favored 'General case' 0 N--CA 1.422 -1.827 0 CA-C-N 110.556 -3.02 . . . . 0.0 111.436 179.758 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.492 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 52.6 t0 -82.61 92.31 7.11 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 118.982 -1.087 . . . . 0.0 110.921 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -67.5 -39.06 85.18 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.05 0.452 . . . . 0.0 112.11 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.495 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 23.5 m120 -59.1 -37.15 76.48 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.271 -176.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.33 5.07 80.08 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 -177.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.2 p30 -62.45 -32.55 73.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 113.723 -1.239 . . . . 0.0 112.477 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.662 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 99.01 -10.36 61.96 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -178.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.522 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 84.3 tt0 -112.23 140.9 46.55 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 1.014 HG13 HD11 ' B' ' 61' ' ' LEU . 69.6 t -102.67 131.27 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.637 0.732 . . . . 0.0 112.553 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -90.15 145.48 25.01 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 114.333 -1.303 . . . . 0.0 107.897 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.541 ' O ' HG13 ' B' ' 75' ' ' VAL . 72.6 t80 -54.42 -39.47 67.36 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 119.72 -0.792 . . . . 0.0 109.625 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.33 -39.65 87.82 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.369 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.495 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.5 mt-10 -68.51 -41.0 80.59 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.037 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.54 ' OH ' HD21 ' B' ' 37' ' ' LEU . 61.6 t80 -64.97 -43.22 93.34 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.541 HG13 ' O ' ' B' ' 71' ' ' PHE . 20.0 m -65.65 -35.93 76.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.921 -178.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.457 HG13 HG13 ' A' ' 76' ' ' VAL . 68.9 t -61.61 -45.26 99.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 119.715 -0.794 . . . . 0.0 110.204 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.443 HD22 ' HB2' ' B' ' 61' ' ' LEU . 33.6 tp -65.13 -39.89 93.69 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.603 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.451 HG21 ' CE2' ' B' ' 74' ' ' TYR . 49.9 t -62.01 -38.27 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.41 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -55.98 -39.5 71.9 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.067 -177.52 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.11 -42.84 75.56 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.394 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.39 -38.1 89.83 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.529 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 0.9 OUTLIER -60.16 -37.95 81.7 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.035 -179.409 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.0 -43.01 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.62 78.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.419 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -59.46 -33.14 70.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.251 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -54.84 -37.03 65.66 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 120.936 0.398 . . . . 0.0 110.792 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.705 0.288 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.04 -35.21 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.212 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.533 HD22 ' OE1' ' B' ' 40' ' ' GLU . 29.7 tp -59.14 -39.57 82.8 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.16 -179.083 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.28 -40.81 87.28 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 119.512 -0.875 . . . . 0.0 108.753 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.4 m -65.91 -37.7 86.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.83 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.11 -46.22 88.37 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.69 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.4 mtm -58.55 -40.48 83.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 118.844 -1.142 . . . . 0.0 109.064 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 97.8 mt-10 -67.17 -37.23 83.37 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.85 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.9 m -62.23 -43.72 98.18 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.08 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.29 -44.88 95.51 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.009 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.82 -43.88 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.886 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 22.7 m120 -59.99 -39.18 84.83 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.309 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 10' ' ' THR . 76.0 t -65.44 -42.88 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -59.94 -49.1 79.02 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.177 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.26 -39.87 94.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.457 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.7 98.55 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.694 ' HB2' HD21 ' A' ' 36' ' ' LEU . 54.2 m80 -100.86 -33.1 10.36 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -177.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.484 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 86.4 p -60.74 -29.35 69.33 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.971 -178.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.4 -27.51 63.36 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 115.476 -0.784 . . . . 0.0 114.537 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 22' ' ' GLU . 16.6 ptpt -56.76 -43.59 80.91 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.416 1.108 . . . . 0.0 112.343 -176.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 76.8 mm-40 -135.54 143.28 45.63 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.356 0.598 . . . . 0.0 111.717 178.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.86 -167.52 54.86 Favored Glycine 0 CA--C 1.518 0.268 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -72.8 143.49 47.87 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.8 -38.68 82.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.272 1.034 . . . . 0.0 108.792 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.514 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 68.9 m-85 -71.56 -21.14 61.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.017 -1.901 . . . . 0.0 113.129 -178.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HZ1' ' CD ' ' A' ' 68' ' ' GLU . 23.1 tptm -112.27 140.54 46.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 109.944 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.612 HD23 ' N ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -96.76 132.58 42.32 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.635 -177.885 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.612 ' N ' HD23 ' A' ' 28' ' ' LEU . 49.0 m -102.72 152.83 20.76 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.437 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 76.6 tttt -56.39 -42.12 77.41 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.175 -178.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -59.83 -49.11 78.98 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.828 0.823 . . . . 0.0 110.718 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.552 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.6 mt-10 -61.69 -37.62 84.82 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.392 -177.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.435 HD21 ' CD1' ' A' ' 61' ' ' LEU . 62.8 tp -63.29 -43.18 98.62 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.988 178.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HD3' HG21 ' A' ' 54' ' ' VAL . 6.9 tptp -59.94 -42.2 93.5 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.613 177.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.416 ' O ' HG22 ' A' ' 39' ' ' THR . 78.4 mm-40 -69.42 -39.14 78.07 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.416 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 18' ' ' HIS . 89.1 mt -66.42 -48.87 68.65 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 119.213 -0.995 . . . . 0.0 112.189 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.0 mt -68.8 -42.33 77.45 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.309 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' A' ' 34' ' ' LYS . 19.7 tt0 -63.67 -42.35 98.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.489 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.1 t -85.18 -46.28 11.23 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.584 -0.846 . . . . 0.0 112.335 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.559 ' C ' HD12 ' A' ' 41' ' ' LEU . 96.0 mt-10 -73.29 -33.77 65.38 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.231 -0.587 . . . . 0.0 112.039 -178.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.563 HD23 HD13 ' A' ' 45' ' ' LEU . 6.9 mp -121.4 41.35 3.36 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.053 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -54.25 -32.16 55.33 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.157 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.75 -64.86 1.59 Allowed Glycine 0 CA--C 1.533 1.158 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.549 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -57.86 -44.45 86.59 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.563 HD13 HD23 ' A' ' 41' ' ' LEU . 8.4 mp -94.87 -0.93 53.61 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.539 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.0 t0 -22.77 100.42 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.73 0.776 . . . . 0.0 111.485 -177.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' ASP . . . -64.16 -21.8 66.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 114.23 -1.35 . . . . 0.0 111.928 -179.334 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.99 -35.34 64.24 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.536 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.502 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 75.1 mmtt -59.81 -37.85 80.31 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.502 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.6 m-20 -141.03 101.29 4.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.332 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.35 -40.85 89.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -84.17 -1.09 54.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HB2' ' CB ' ' A' ' 50' ' ' ASP . . . -61.03 -30.13 70.13 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.894 -178.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.411 HG21 ' HD3' ' A' ' 34' ' ' LYS . 63.9 t -57.84 -45.42 87.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.513 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.437 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 89.9 m-20 -62.59 -41.47 98.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.447 0.641 . . . . 0.0 110.365 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -59.83 -39.49 85.29 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.786 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.47 -44.14 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.015 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.5 ' SD ' ' C ' ' A' ' 58' ' ' MET . 2.0 ppp? -63.81 -38.47 91.23 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.761 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 58' ' ' MET . 95.9 mttt -59.01 -38.83 80.15 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.699 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.93 -37.05 86.34 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.786 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.486 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 96.2 mt -67.08 -37.02 83.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.753 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.63 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 51.5 t0 -76.06 85.96 2.94 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.439 -0.905 . . . . 0.0 110.53 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -66.9 -39.4 87.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.85 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 66' ' ' ASP . 43.9 p-10 -89.23 0.39 56.8 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -177.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.458 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 74.93 11.23 83.85 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.949 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.2 p30 -62.9 -33.27 74.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.733 0.301 . . . . 0.0 111.8 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 97.21 -5.01 62.84 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.531 ' CD ' ' HZ1' ' A' ' 27' ' ' LYS . 80.0 tt0 -115.47 148.42 39.47 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.49 ' O ' ' O ' ' A' ' 28' ' ' LEU . 48.4 t -106.09 133.84 49.38 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-O 121.708 0.766 . . . . 0.0 112.771 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.6 t0 -103.4 149.09 25.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.266 178.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.457 ' O ' HG13 ' A' ' 75' ' ' VAL . 65.9 t80 -52.72 -39.87 62.46 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.336 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.24 -40.66 78.04 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.009 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.486 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.3 mt-10 -67.41 -41.19 85.31 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.419 0.628 . . . . 0.0 111.068 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.417 ' HA ' HD22 ' A' ' 61' ' ' LEU . 91.2 t80 -64.77 -42.18 95.31 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -178.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 71' ' ' PHE . 32.1 m -64.12 -37.16 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -176.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 77' ' ' LEU . 33.9 m -72.69 -43.11 62.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 118.745 -1.182 . . . . 0.0 111.745 -179.325 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.425 HD23 HD21 ' A' ' 61' ' ' LEU . 31.6 tp -68.32 -40.92 81.49 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 p -59.23 -33.14 49.86 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.738 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.439 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -58.69 -37.49 76.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.262 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.02 -42.2 76.71 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.138 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 81' ' ' LEU . 7.1 mp -65.09 -38.71 91.62 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -179.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.1 t -58.62 -40.27 82.82 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 118.895 -1.122 . . . . 0.0 109.509 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.58 -41.25 89.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.0 74.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.017 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.2 m -55.59 -34.33 64.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -55.02 -37.56 66.79 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.044 0.45 . . . . 0.0 110.47 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 C--N 1.329 -0.286 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.685 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 56.4 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.766 0.317 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.99 -35.25 77.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.222 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.528 HD22 ' OE1' ' A' ' 40' ' ' GLU . 29.5 tp -59.1 -39.53 82.52 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.205 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.4 -40.86 87.97 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 119.463 -0.895 . . . . 0.0 108.629 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 49.1 m -65.89 -37.54 86.38 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.918 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.28 88.02 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.382 -0.827 . . . . 0.0 112.718 -177.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 58.3 mtm -58.52 -40.52 83.11 Favored 'General case' 0 CA--C 1.514 -0.434 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.03 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.431 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 97.9 mt-10 -67.2 -37.23 83.3 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.753 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.675 ' O ' HG23 ' B' ' 14' ' ' VAL . 43.9 m -62.2 -43.73 98.18 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.141 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.23 -44.95 95.4 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.035 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.8 -43.88 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.805 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 22.8 m120 -60.06 -39.14 84.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.3 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 10' ' ' THR . 76.7 t -65.41 -42.86 94.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -59.96 -49.08 79.06 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 114.952 -1.022 . . . . 0.0 112.142 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.25 -39.83 94.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.5 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.71 98.67 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.696 ' HB2' HD21 ' B' ' 36' ' ' LEU . 53.9 m80 -100.86 -33.0 10.4 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -177.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.474 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 86.4 p -60.83 -29.43 69.49 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.894 -178.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.36 -27.52 63.28 Favored Glycine 0 CA--C 1.535 1.302 0 CA-C-N 115.49 -0.777 . . . . 0.0 114.497 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' B' ' 22' ' ' GLU . 16.6 ptpt -56.72 -43.51 80.7 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 118.488 1.144 . . . . 0.0 112.422 -176.282 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.537 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 76.8 mm-40 -135.62 143.29 45.47 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.344 0.593 . . . . 0.0 111.718 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.81 -167.5 54.84 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -72.85 143.5 47.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.83 -38.68 82.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.263 1.03 . . . . 0.0 108.746 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.507 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 69.6 m-85 -71.61 -21.1 61.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.08 -1.873 . . . . 0.0 113.034 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.489 ' HZ1' ' CD ' ' B' ' 68' ' ' GLU . 23.1 tptm -112.24 140.6 46.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 110.037 -179.117 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.621 HD23 ' N ' ' B' ' 29' ' ' SER . 0.5 OUTLIER -96.73 132.58 42.27 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.643 -177.85 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.621 ' N ' HD23 ' B' ' 28' ' ' LEU . 48.9 m -102.69 152.8 20.79 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.464 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 76.6 tttt -56.36 -42.2 77.42 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.176 -178.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -59.78 -49.11 78.99 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.786 0.803 . . . . 0.0 110.723 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.537 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.6 mt-10 -61.72 -37.64 84.94 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.391 -177.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.436 HD21 ' CD1' ' B' ' 61' ' ' LEU . 62.9 tp -63.4 -43.09 98.52 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.912 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.414 ' HD3' HG21 ' B' ' 54' ' ' VAL . 6.9 tptp -59.96 -42.26 93.71 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.522 177.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.411 ' O ' HG22 ' B' ' 39' ' ' THR . 78.4 mm-40 -69.36 -39.14 78.26 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.401 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.696 HD21 ' HB2' ' B' ' 18' ' ' HIS . 88.8 mt -66.47 -48.79 68.75 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.121 -1.032 . . . . 0.0 112.204 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.83 -42.32 77.36 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.281 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.404 ' CB ' ' O ' ' B' ' 34' ' ' LYS . 19.7 tt0 -63.66 -42.38 98.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.0 t -85.17 -46.25 11.27 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.64 -0.824 . . . . 0.0 112.371 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.547 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.9 mt-10 -73.26 -33.92 65.52 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.997 -178.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.547 HD12 ' C ' ' B' ' 40' ' ' GLU . 6.9 mp -121.33 41.36 3.35 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.042 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -54.29 -32.25 55.88 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.115 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.69 -64.86 1.59 Allowed Glycine 0 CA--C 1.534 1.22 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.552 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -57.86 -44.44 86.57 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -177.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.543 HD13 HD23 ' B' ' 41' ' ' LEU . 8.4 mp -94.78 -0.95 53.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.534 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.0 t0 -22.75 100.57 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.735 0.778 . . . . 0.0 111.417 -177.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' B' ' 50' ' ' ASP . . . -64.46 -21.68 66.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.844 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.94 -35.42 64.2 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.529 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.5 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 75.1 mmtt -59.74 -37.91 80.27 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.5 ' CB ' ' HB2' ' B' ' 53' ' ' ALA . 93.5 m-20 -140.98 101.3 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.365 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.42 -40.82 89.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -84.18 -1.01 54.33 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.5 ' HB2' ' CB ' ' B' ' 50' ' ' ASP . . . -61.19 -29.99 70.14 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.893 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.414 HG21 ' HD3' ' B' ' 34' ' ' LYS . 64.9 t -57.82 -45.47 87.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 119.969 -0.693 . . . . 0.0 110.594 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.464 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 90.0 m-20 -62.59 -41.45 98.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.462 0.649 . . . . 0.0 110.36 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -59.79 -39.45 84.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.854 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.1 t -67.44 -44.26 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.997 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.501 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.0 ppp? -63.76 -38.52 91.41 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.746 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' B' ' 58' ' ' MET . 95.9 mttt -58.94 -38.91 80.09 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 119.397 -0.921 . . . . 0.0 110.652 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.85 -37.08 86.44 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.274 -0.57 . . . . 0.0 109.834 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 96.3 mt -67.04 -37.09 83.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.753 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.623 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 51.5 t0 -76.1 86.04 2.97 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.608 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -66.91 -39.44 87.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.804 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' B' ' 66' ' ' ASP . 43.8 p-10 -89.31 0.43 56.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -176.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.469 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 75.05 11.14 84.14 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.887 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.643 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.3 p30 -62.81 -33.35 75.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.718 0.295 . . . . 0.0 111.733 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.643 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 97.26 -5.05 62.77 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.489 ' CD ' ' HZ1' ' B' ' 27' ' ' LYS . 80.0 tt0 -115.5 148.35 39.58 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.494 ' O ' ' O ' ' B' ' 28' ' ' LEU . 48.4 t -106.03 133.77 49.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.674 0.75 . . . . 0.0 112.805 -177.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.7 t0 -103.42 149.18 25.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.279 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.466 ' O ' HG13 ' B' ' 75' ' ' VAL . 66.0 t80 -52.63 -39.95 62.26 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.372 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.28 -40.58 78.04 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.09 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.488 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 98.3 mt-10 -67.4 -41.23 85.26 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.376 0.607 . . . . 0.0 111.08 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.411 ' HA ' HD22 ' B' ' 61' ' ' LEU . 91.1 t80 -64.69 -42.17 95.51 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -178.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.466 HG13 ' O ' ' B' ' 71' ' ' PHE . 32.3 m -64.2 -37.04 78.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -176.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.414 HG23 ' N ' ' B' ' 77' ' ' LEU . 34.0 m -72.85 -43.11 60.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 118.695 -1.202 . . . . 0.0 111.636 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.414 ' N ' HG23 ' B' ' 76' ' ' VAL . 31.5 tp -68.26 -40.99 81.73 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 p -59.15 -33.21 49.88 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.767 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.438 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -58.66 -37.47 76.05 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.332 -179.393 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.99 -42.29 76.69 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.168 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.476 HD12 ' N ' ' B' ' 81' ' ' LEU . 7.1 mp -64.99 -38.69 91.79 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.1 t -58.59 -40.3 82.8 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 118.862 -1.135 . . . . 0.0 109.501 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.55 -41.3 89.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.3 -32.97 74.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.972 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 70.9 m -55.58 -34.43 64.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -54.85 -37.61 66.42 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.1 0.476 . . . . 0.0 110.502 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.716 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.8 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.851 0.358 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.84 -34.51 76.1 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.452 HD22 ' OE1' ' B' ' 40' ' ' GLU . 48.9 tp -57.22 -40.0 76.62 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.362 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.18 -39.57 90.63 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 119.334 -0.947 . . . . 0.0 109.482 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.8 m -63.84 -42.37 97.61 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.14 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 11' ' ' LEU . . . -63.61 -45.27 91.06 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.457 0.646 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmm -52.14 -50.72 61.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.835 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -70.08 -36.26 74.8 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.18 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.1 m -58.83 -42.75 89.99 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 7' ' ' ALA . 83.1 mt -57.45 -47.67 81.2 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 121.9 0.857 . . . . 0.0 110.428 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.9 mt -64.3 -38.85 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.139 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -59.81 -39.98 86.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.619 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 15' ' ' PHE . 28.5 m -77.46 -47.85 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 C-N-CA 119.598 -0.841 . . . . 0.0 112.596 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.501 ' CD1' HD13 ' A' ' 36' ' ' LEU . 72.7 m-85 -67.48 -43.15 81.65 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 118.961 -1.095 . . . . 0.0 111.724 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -62.42 -44.37 96.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.831 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.5 74.8 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -177.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.757 ' CG ' HD21 ' A' ' 36' ' ' LEU . 6.1 t60 -70.13 -44.39 69.01 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 120.943 0.401 . . . . 0.0 111.692 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 85.1 p -60.79 -29.96 69.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.509 -178.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.97 -33.9 76.21 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.772 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -58.26 -40.19 81.17 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.266 -178.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.535 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.6 mt-10 -137.34 143.96 42.3 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.814 179.066 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.67 -165.38 52.46 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -72.31 147.93 45.88 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.036 0.446 . . . . 0.0 110.018 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' O ' ' OG ' ' A' ' 19' ' ' SER . 64.9 mttm -58.86 -32.73 69.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.668 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -105.47 13.85 29.53 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -123.7 132.83 53.92 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.538 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' O ' ' O ' ' A' ' 69' ' ' VAL . 56.2 mt -100.67 137.15 39.45 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.351 0.596 . . . . 0.0 109.994 177.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -101.29 157.5 16.74 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.599 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 58.4 tttt -51.46 -41.73 61.09 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 119.016 -1.074 . . . . 0.0 109.2 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -61.86 -50.41 72.36 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.199 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.535 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.3 mt-10 -63.53 -41.48 98.48 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.674 -176.023 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.57 -42.97 99.88 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.008 -0.997 . . . . 0.0 110.155 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.8 tptp -61.49 -46.33 90.48 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.898 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.64 -38.06 86.12 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 119.766 -0.774 . . . . 0.0 111.951 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.757 HD21 ' CG ' ' A' ' 18' ' ' HIS . 85.8 mt -66.31 -46.39 77.1 Favored 'General case' 0 CA--C 1.519 -0.243 0 C-N-CA 119.238 -0.985 . . . . 0.0 111.931 178.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.557 HD21 ' OH ' ' A' ' 74' ' ' TYR . 78.0 mt -68.47 -43.13 77.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 119.064 -1.054 . . . . 0.0 110.907 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -64.43 -42.29 96.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.022 -0.99 . . . . 0.0 113.322 -178.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.9 t -83.57 -47.03 11.73 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.776 -0.77 . . . . 0.0 112.302 -178.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.642 ' C ' HD12 ' A' ' 41' ' ' LEU . 95.7 mt-10 -73.18 -33.76 65.61 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.173 -0.611 . . . . 0.0 111.492 -178.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.642 HD12 ' C ' ' A' ' 40' ' ' GLU . 9.0 mp -122.11 51.9 1.32 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.476 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -54.83 -31.77 59.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.44 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.8 -67.92 1.41 Allowed Glycine 0 CA--C 1.532 1.095 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.295 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -57.68 -43.42 85.07 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -177.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.61 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -91.63 -3.47 56.33 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' A' ' 45' ' ' LEU . 61.2 t0 -24.66 84.62 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.496 0.665 . . . . 0.0 111.495 -177.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.61 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -65.74 -21.77 66.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.758 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.24 -35.14 64.63 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.088 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.523 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 48.0 mmtt -58.99 -37.95 78.04 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.523 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.9 m-20 -142.14 87.36 2.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.009 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.7 t -60.41 -44.34 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.304 0.573 . . . . 0.0 111.184 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.6 -33.13 71.09 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.869 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.05 -28.41 62.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.847 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.5 t -56.49 -44.72 81.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.15 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.599 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 84.4 m-20 -61.88 -41.54 98.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.485 0.659 . . . . 0.0 110.082 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -61.77 -39.4 91.51 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.361 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.0 t -66.47 -46.77 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.0 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.484 ' SD ' ' C ' ' A' ' 58' ' ' MET . 2.1 ppp? -64.94 -35.61 81.71 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.957 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 58' ' ' MET . 80.1 tttt -57.73 -41.11 81.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.014 -0.675 . . . . 0.0 109.949 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.04 -36.75 85.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.009 0.433 . . . . 0.0 110.302 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.692 HD21 HD22 ' A' ' 77' ' ' LEU . 84.4 mt -66.6 -36.29 82.24 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.56 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.544 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 50.7 t0 -75.12 85.44 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.301 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.84 -38.35 88.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.398 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.413 ' ND2' ' HB3' ' A' ' 66' ' ' ASP . 43.9 p-10 -90.02 0.57 57.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 -177.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.449 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 73.16 14.31 79.07 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.86 178.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.8 p30 -62.27 -33.11 74.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.876 0.369 . . . . 0.0 111.777 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.1 -7.46 62.42 Favored Glycine 0 CA--C 1.519 0.317 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.453 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 80.5 tt0 -115.35 146.55 41.44 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 178.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.511 ' O ' ' O ' ' A' ' 28' ' ' LEU . 48.1 t -104.32 132.81 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 111.662 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.8 t0 -97.92 145.54 26.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.589 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.515 ' O ' HG13 ' A' ' 75' ' ' VAL . 79.2 t80 -51.14 -39.45 56.31 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.43 ' O ' HG22 ' A' ' 75' ' ' VAL . 63.3 tt0 -58.02 -41.06 82.33 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.526 178.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.476 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.9 mt-10 -67.16 -40.74 86.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.524 0.678 . . . . 0.0 110.128 178.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.557 ' OH ' HD21 ' A' ' 37' ' ' LEU . 93.1 t80 -64.59 -41.37 96.29 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 71' ' ' PHE . 26.1 m -62.68 -37.62 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 119.604 -0.838 . . . . 0.0 111.971 -177.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.03 -44.7 99.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 118.957 -1.097 . . . . 0.0 110.538 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.692 HD22 HD21 ' A' ' 61' ' ' LEU . 26.0 tp -67.54 -41.5 84.21 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.5 p -57.56 -34.42 47.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.282 -177.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HB1' ' C ' ' B' ' 75' ' ' VAL . . . -60.42 -39.32 86.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.072 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.91 -42.12 73.76 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.296 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -64.84 -38.66 91.71 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.539 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -59.58 -40.47 87.48 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 118.883 -1.127 . . . . 0.0 109.545 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.84 -41.64 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.044 0.449 . . . . 0.0 109.93 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.9 -34.79 78.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.605 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 77.6 m -58.17 -35.17 71.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.602 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -55.69 -36.86 67.61 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.588 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 CA--C 1.516 -0.363 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.6 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.717 0.294 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.9 -34.47 76.09 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.682 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.439 HD22 ' OE1' ' A' ' 40' ' ' GLU . 49.0 tp -57.23 -40.07 76.81 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.31 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.1 -39.67 90.85 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.398 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.0 m -63.81 -42.4 97.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.114 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' B' ' 11' ' ' LEU . . . -63.61 -45.17 91.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.438 0.637 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmm -52.16 -50.69 61.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.891 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -70.13 -36.18 74.61 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.246 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.9 m -58.82 -42.71 89.84 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 7' ' ' ALA . 83.3 mt -57.56 -47.63 81.54 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 121.861 0.839 . . . . 0.0 110.393 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.7 mt -64.31 -38.85 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.125 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -59.79 -39.97 86.73 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.634 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.42 HG23 ' N ' ' B' ' 15' ' ' PHE . 28.4 m -77.57 -47.81 25.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 119.594 -0.842 . . . . 0.0 112.557 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.493 ' CD1' HD13 ' B' ' 36' ' ' LEU . 72.7 m-85 -67.47 -43.21 81.56 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 119.07 -1.052 . . . . 0.0 111.661 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -62.44 -44.32 96.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.871 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.4 74.97 Favored 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.738 ' CG ' HD21 ' B' ' 36' ' ' LEU . 6.0 t60 -70.27 -44.19 68.93 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 120.791 0.329 . . . . 0.0 111.782 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.486 ' O ' ' O ' ' B' ' 22' ' ' GLU . 84.8 p -60.75 -29.93 69.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.617 -178.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.94 -33.91 76.12 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.848 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -58.26 -40.12 81.0 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.283 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.521 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.6 mt-10 -137.44 143.86 42.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 110.771 179.114 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.67 -165.36 52.49 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -72.31 147.93 45.87 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.077 0.465 . . . . 0.0 109.975 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.47 ' O ' ' OG ' ' B' ' 19' ' ' SER . 64.8 mttm -58.95 -32.63 69.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.711 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 75.2 m-85 -105.51 13.9 29.42 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -176.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -123.7 132.84 53.92 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.548 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.516 ' O ' ' O ' ' B' ' 69' ' ' VAL . 56.0 mt -100.67 137.2 39.39 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 121.4 0.619 . . . . 0.0 109.95 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -101.34 157.55 16.71 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.608 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 58.5 tttt -51.52 -41.68 61.2 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 118.934 -1.106 . . . . 0.0 109.273 -178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.79 -50.51 72.05 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.193 -0.603 . . . . 0.0 112.126 177.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.521 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -63.53 -41.48 98.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.614 -175.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.62 -42.9 99.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.204 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 11.8 tptp -61.6 -46.26 90.61 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.833 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.71 -38.03 85.9 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.928 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.738 HD21 ' CG ' ' B' ' 18' ' ' HIS . 85.6 mt -66.34 -46.46 76.75 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.882 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.553 HD21 ' OH ' ' B' ' 74' ' ' TYR . 77.7 mt -68.44 -43.09 77.84 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 119.079 -1.048 . . . . 0.0 110.884 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -64.48 -42.3 95.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.025 -0.989 . . . . 0.0 113.35 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.494 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.9 t -83.51 -47.0 11.8 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.758 -0.777 . . . . 0.0 112.386 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.641 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.7 mt-10 -73.18 -33.79 65.62 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.481 -178.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.641 HD12 ' C ' ' B' ' 40' ' ' GLU . 9.0 mp -122.13 51.94 1.32 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.468 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -54.9 -31.72 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.435 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.78 -67.99 1.4 Allowed Glycine 0 CA--C 1.533 1.156 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.348 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -57.66 -43.3 84.88 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.612 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.6 OUTLIER -91.69 -3.54 56.16 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' B' ' 45' ' ' LEU . 61.3 t0 -24.71 84.63 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.565 0.698 . . . . 0.0 111.541 -177.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.612 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -65.78 -21.7 66.52 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.838 -1.073 . . . . 0.0 111.784 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -55.21 -35.16 64.58 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.16 -178.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.516 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 48.1 mmtt -58.99 -37.86 77.84 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.516 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.2 m-20 -142.33 87.43 2.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.964 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 39.7 t -60.38 -44.38 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.272 0.558 . . . . 0.0 111.199 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.62 -33.07 71.03 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.837 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.07 -28.36 62.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.862 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.6 t -56.49 -44.74 81.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.162 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.608 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 84.3 m-20 -61.86 -41.58 98.01 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.433 0.635 . . . . 0.0 110.073 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -61.72 -39.46 91.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.321 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.38 -46.91 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.995 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.487 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.1 ppp? -64.84 -35.7 81.96 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.038 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -57.62 -41.11 80.68 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.98 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.18 -36.57 84.62 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.319 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.669 HD21 HD22 ' B' ' 77' ' ' LEU . 84.3 mt -66.69 -36.27 82.11 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.477 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 50.7 t0 -75.1 85.41 2.35 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.326 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.98 -38.23 88.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.368 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.413 ' ND2' ' HB3' ' B' ' 66' ' ' ASP . 44.0 p-10 -90.03 0.52 57.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.444 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 73.26 14.28 79.25 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.89 178.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.8 p30 -62.28 -33.13 74.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.818 0.342 . . . . 0.0 111.704 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.01 -7.37 62.57 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 80.6 tt0 -115.36 146.57 41.44 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.516 ' O ' ' O ' ' B' ' 28' ' ' LEU . 48.0 t -104.23 132.72 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.515 0.674 . . . . 0.0 111.679 -178.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.9 t0 -97.88 145.54 26.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.624 178.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.517 ' O ' HG13 ' B' ' 75' ' ' VAL . 79.3 t80 -51.16 -39.44 56.35 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.414 ' O ' HG22 ' B' ' 75' ' ' VAL . 63.3 tt0 -57.91 -41.09 81.93 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.552 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.495 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 98.9 mt-10 -67.17 -40.72 86.65 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.175 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.553 ' OH ' HD21 ' B' ' 37' ' ' LEU . 93.1 t80 -64.65 -41.33 96.19 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.517 HG13 ' O ' ' B' ' 71' ' ' PHE . 26.4 m -62.82 -37.49 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 119.583 -0.847 . . . . 0.0 111.905 -177.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.8 t -62.11 -44.68 99.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 118.932 -1.107 . . . . 0.0 110.451 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.669 HD22 HD21 ' B' ' 61' ' ' LEU . 26.3 tp -67.58 -41.53 83.99 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.499 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.5 p -57.54 -34.38 46.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.342 -177.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.439 ' HB1' ' C ' ' A' ' 75' ' ' VAL . . . -60.44 -39.33 87.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.056 -179.358 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.88 -42.18 73.78 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.295 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.49 ' N ' ' CD2' ' B' ' 81' ' ' LEU . 0.7 OUTLIER -64.75 -38.76 92.08 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -179.473 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.412 HG22 ' O ' ' B' ' 79' ' ' ALA . 1.8 t -59.55 -40.48 87.4 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 118.806 -1.158 . . . . 0.0 109.574 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.85 -41.64 91.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.039 0.447 . . . . 0.0 109.883 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.76 78.65 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.682 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 76.7 m -58.14 -35.19 71.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.655 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -55.64 -36.9 67.53 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.532 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 CA--C 1.515 -0.367 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.503 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 30.6 t . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 120.556 0.217 . . . . 0.0 111.283 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -64.88 -36.98 86.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.21 -40.22 93.18 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.702 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.07 -41.18 96.15 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.561 -0.856 . . . . 0.0 108.834 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.1 m -65.94 -37.68 86.66 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.152 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.17 -50.05 69.67 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.918 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.5 mtm -59.04 -41.82 88.77 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 119.205 -0.998 . . . . 0.0 109.894 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 76.6 mm-40 -67.53 -36.37 80.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.837 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.9 m -61.38 -43.95 97.99 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.37 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.97 -46.65 88.32 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.72 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.718 HG23 ' CE1' ' A' ' 16' ' ' HIS . 91.0 mt -60.36 -46.54 94.9 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.475 179.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.613 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 24.3 m120 -61.08 -39.33 89.48 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.606 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 10' ' ' THR . 77.4 t -67.24 -48.3 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.878 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.596 ' HD1' HD13 ' A' ' 36' ' ' LEU . 64.8 m-85 -70.01 -50.22 43.59 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.015 -178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.718 ' CE1' HG23 ' A' ' 12' ' ' ILE . 80.1 m80 -60.71 -35.41 76.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.067 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 13' ' ' ASN . . . -60.41 -42.34 95.77 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.796 -178.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.74 ' HB2' HD21 ' A' ' 36' ' ' LEU . 98.9 m-70 -89.57 -28.03 19.84 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.813 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.512 ' OG ' HD21 ' A' ' 28' ' ' LEU . 21.2 m -59.26 -36.5 75.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.947 0.403 . . . . 0.0 110.874 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.82 -31.25 67.51 Favored Glycine 0 CA--C 1.522 0.476 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.581 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -56.66 -38.16 71.81 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.764 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.486 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.0 mt-10 -137.1 142.78 42.32 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.259 0.552 . . . . 0.0 111.725 178.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.28 -146.91 42.88 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.834 177.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -83.73 133.12 34.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.424 -0.888 . . . . 0.0 111.545 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -55.59 -37.66 68.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.788 0.804 . . . . 0.0 109.884 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 3.2 m-30 -71.51 -19.26 62.21 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.087 -1.415 . . . . 0.0 112.141 -176.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -112.08 139.04 47.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.512 HD21 ' OG ' ' A' ' 19' ' ' SER . 66.8 mt -105.44 132.32 51.75 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.29 -1.323 . . . . 0.0 107.86 174.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -102.18 166.11 10.77 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 46.6 mtpt -52.19 -39.79 60.62 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 118.608 -1.237 . . . . 0.0 109.238 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -63.37 -51.9 63.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.146 -0.622 . . . . 0.0 112.488 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.486 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.8 mt-10 -64.02 -40.97 97.5 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.634 0.73 . . . . 0.0 110.949 -175.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.38 -41.95 96.42 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.268 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.597 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 1.5 tptp -60.16 -47.67 84.96 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.541 -1.208 . . . . 0.0 111.998 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.513 ' O ' HG22 ' A' ' 39' ' ' THR . 77.8 mm-40 -69.99 -38.02 75.88 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.083 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.74 HD21 ' HB2' ' A' ' 18' ' ' HIS . 43.7 mt -63.89 -50.64 67.94 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 119.87 -0.732 . . . . 0.0 112.347 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.57 HD23 HD12 ' A' ' 45' ' ' LEU . 10.1 mp -72.67 -44.65 61.56 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 119.449 -0.901 . . . . 0.0 111.919 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.597 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 64.6 tt0 -63.9 -42.37 97.46 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -80.82 -46.56 15.17 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.886 -0.726 . . . . 0.0 112.643 -178.384 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.556 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 73.8 mm-40 -73.41 -36.28 65.98 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 118.733 -1.187 . . . . 0.0 111.305 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.5 mt -125.39 57.18 1.33 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.979 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.9 m -55.54 -34.3 64.59 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.999 -0.281 . . . . 0.0 111.231 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.43 -66.34 1.74 Allowed Glycine 0 CA--C 1.53 0.981 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.546 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -60.04 -43.75 95.12 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -177.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.802 ' O ' ' N ' ' A' ' 47' ' ' ALA . 3.1 mm? -88.04 -7.23 57.33 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -179.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.684 ' O ' ' N ' ' A' ' 48' ' ' GLN . 52.9 t0 -25.25 69.33 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -177.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.837 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . 39.38 13.0 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.714 0.292 . . . . 0.0 111.115 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.684 ' N ' ' O ' ' A' ' 46' ' ' ASP . 91.7 mt-30 59.23 38.05 23.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 -177.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 58.96 30.29 20.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.426 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.837 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 60.0 t0 -145.66 125.77 13.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.79 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.2 -40.24 88.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -87.83 4.03 46.05 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.739 ' HB2' ' HB3' ' A' ' 50' ' ' ASP . . . -60.3 -30.93 69.8 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.577 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.436 HG21 ' HD3' ' A' ' 34' ' ' LYS . 78.4 t -58.86 -45.0 91.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.435 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 90.1 m-20 -62.0 -42.11 98.8 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.306 179.52 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.13 -39.81 93.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.424 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 53' ' ' ALA . 76.0 t -66.36 -47.64 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.395 -179.13 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.526 ' SD ' ' C ' ' A' ' 58' ' ' MET . 2.8 ppp? -65.83 -35.95 82.11 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.351 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -56.76 -40.82 76.51 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.541 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.67 -36.58 84.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.556 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.649 HD21 HD22 ' A' ' 77' ' ' LEU . 79.5 mt -66.53 -36.96 83.97 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.763 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 52.0 t0 -76.96 88.67 3.51 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.475 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.3 -38.76 88.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.383 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.441 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 45.1 p-10 -90.8 0.31 57.49 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -177.699 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.462 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 72.53 14.3 77.55 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.808 178.171 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.64 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.7 p30 -62.47 -33.03 74.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.64 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.3 -7.79 62.2 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -178.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.48 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 84.5 tt0 -112.5 142.51 44.98 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 61' ' ' LEU . 42.8 t -105.22 131.34 54.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.364 0.602 . . . . 0.0 111.083 -178.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 58.1 t0 -96.96 144.8 26.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.459 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.594 ' CE2' ' CG1' ' A' ' 75' ' ' VAL . 77.3 t80 -50.87 -37.78 45.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.416 ' O ' HG22 ' A' ' 75' ' ' VAL . 94.2 mt-30 -58.95 -39.2 80.92 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.614 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.477 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -68.36 -41.38 80.73 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.75 0.786 . . . . 0.0 109.962 178.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.8 -40.91 95.99 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.594 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 27.7 m -62.4 -36.58 75.5 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.881 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.09 -44.67 99.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 C-N-CA 118.929 -1.108 . . . . 0.0 110.476 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.649 HD22 HD21 ' A' ' 61' ' ' LEU . 24.8 tp -67.7 -42.14 82.5 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.6 p -57.91 -35.19 50.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 119.769 -0.773 . . . . 0.0 110.989 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' B' ' 75' ' ' VAL . . . -60.82 -39.0 87.38 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.346 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.09 -41.08 74.53 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.718 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.434 HD13 HD11 ' A' ' 45' ' ' LEU . 73.4 mt -64.03 -38.32 90.63 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -178.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 0.6 OUTLIER -58.0 -41.2 82.55 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.139 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.87 -41.33 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.67 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.74 -30.75 71.81 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.685 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -54.34 -39.43 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.189 -179.076 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.532 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 49.7 t-20 -58.25 -38.22 76.48 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.357 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 . . . . . 0 CA--C 1.518 -0.268 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.75 -178.991 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.556 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 30.5 t . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 120.57 0.224 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -64.86 -37.08 86.42 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.23 -40.17 93.03 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.679 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.13 -41.24 96.37 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -65.88 -37.64 86.67 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.211 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.19 -49.99 69.86 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.967 -177.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.4 mtm -59.09 -41.78 88.89 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 119.175 -1.01 . . . . 0.0 109.871 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 76.7 mm-40 -67.59 -36.39 80.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.764 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.622 ' O ' HG23 ' B' ' 14' ' ' VAL . 48.1 m -61.36 -43.9 98.08 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.386 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.05 -46.64 88.24 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.659 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.714 HG23 ' CE1' ' B' ' 16' ' ' HIS . 91.0 mt -60.32 -46.6 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.498 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.613 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 24.3 m120 -61.02 -39.36 89.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.604 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.622 HG23 ' O ' ' B' ' 10' ' ' THR . 77.2 t -67.28 -48.24 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.897 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.579 ' HD1' HD13 ' B' ' 36' ' ' LEU . 65.2 m-85 -69.97 -50.15 44.57 Favored 'General case' 0 N--CA 1.461 0.091 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.127 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.714 ' CE1' HG23 ' B' ' 12' ' ' ILE . 79.9 m80 -60.8 -35.48 76.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.985 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' B' ' 13' ' ' ASN . . . -60.4 -42.26 95.55 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.877 -178.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.761 ' HB2' HD21 ' B' ' 36' ' ' LEU . 98.9 m-70 -89.58 -28.07 19.8 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.916 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.517 ' OG ' HD21 ' B' ' 28' ' ' LEU . 20.8 m -59.16 -36.53 75.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.379 . . . . 0.0 110.819 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.98 -31.04 67.59 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.599 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -56.71 -38.15 71.93 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.01 -0.676 . . . . 0.0 110.751 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.496 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.0 mt-10 -137.11 142.7 42.3 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.344 0.593 . . . . 0.0 111.768 178.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.29 -146.91 42.92 Favored Glycine 0 CA--C 1.527 0.797 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.798 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -83.71 133.17 34.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.436 -0.882 . . . . 0.0 111.583 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -55.6 -37.73 68.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.749 0.785 . . . . 0.0 109.821 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.573 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 3.2 m-30 -71.5 -19.23 62.22 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.195 -176.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -112.07 139.02 47.93 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.517 HD21 ' OG ' ' B' ' 19' ' ' SER . 66.9 mt -105.41 132.31 51.76 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 114.285 -1.325 . . . . 0.0 107.963 174.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -102.05 165.96 10.88 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.417 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 46.7 mtpt -51.98 -39.95 60.18 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 118.636 -1.226 . . . . 0.0 109.303 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -63.27 -51.96 63.97 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.104 -0.638 . . . . 0.0 112.481 178.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.496 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.7 mt-10 -63.98 -40.94 97.51 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.991 -175.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.42 -41.87 96.35 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.625 -1.17 . . . . 0.0 109.264 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.594 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 1.4 tptp -60.28 -47.51 85.69 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 114.591 -1.186 . . . . 0.0 112.037 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.501 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -70.03 -38.09 75.79 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.046 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.761 HD21 ' HB2' ' B' ' 18' ' ' HIS . 43.6 mt -63.97 -50.55 68.13 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.325 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.568 HD23 HD12 ' B' ' 45' ' ' LEU . 10.0 mp -72.7 -44.67 61.46 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.917 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.594 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.6 tt0 -63.83 -42.39 97.63 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.501 HG22 ' O ' ' B' ' 35' ' ' GLU . 0.7 OUTLIER -80.82 -46.62 15.07 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.891 -0.724 . . . . 0.0 112.58 -178.361 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.503 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 73.9 mm-40 -73.4 -36.28 66.0 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 118.762 -1.175 . . . . 0.0 111.295 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -125.43 57.32 1.33 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.942 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 20.9 m -55.64 -34.2 64.72 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.206 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.54 -66.28 1.74 Allowed Glycine 0 CA--C 1.53 1.006 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.536 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -60.16 -43.58 95.66 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.81 ' O ' ' N ' ' B' ' 47' ' ' ALA . 3.1 mm? -88.18 -7.28 57.12 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.682 ' O ' ' N ' ' B' ' 48' ' ' GLN . 52.8 t0 -25.17 69.37 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -177.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.819 ' HB1' ' O ' ' B' ' 50' ' ' ASP . . . 39.31 12.98 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.713 0.292 . . . . 0.0 111.247 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.682 ' N ' ' O ' ' B' ' 46' ' ' ASP . 91.7 mt-30 59.26 38.02 23.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -177.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 58.97 30.36 20.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.661 -1.154 . . . . 0.0 109.38 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.819 ' O ' ' HB1' ' B' ' 47' ' ' ALA . 60.1 t0 -145.8 125.76 13.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.753 178.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 74.9 t -65.12 -40.25 88.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -87.82 4.02 46.04 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.741 ' HB2' ' HB3' ' B' ' 50' ' ' ASP . . . -60.42 -30.78 69.84 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.56 -179.051 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.437 HG21 ' HD3' ' B' ' 34' ' ' LYS . 78.9 t -58.87 -45.03 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.417 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 90.1 m-20 -61.89 -42.28 98.89 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.266 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.04 -39.8 93.57 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.463 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 53' ' ' ALA . 76.5 t -66.48 -47.55 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.397 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.528 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.8 ppp? -65.88 -35.85 81.77 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.336 -0.546 . . . . 0.0 111.432 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -56.9 -40.7 76.75 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.577 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.62 -36.62 84.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.599 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.667 HD21 HD22 ' B' ' 77' ' ' LEU . 79.6 mt -66.6 -36.88 83.68 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.76 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.478 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 52.0 t0 -76.95 88.58 3.51 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.502 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.27 -38.69 88.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.392 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.442 ' OD1' ' OD1' ' B' ' 62' ' ' ASP . 44.8 p-10 -90.9 0.48 57.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -177.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.454 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 72.36 14.44 77.06 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.913 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.648 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.7 p30 -62.51 -33.11 74.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.648 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.35 -7.84 62.13 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -178.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.477 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 84.5 tt0 -112.5 142.38 45.13 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.426 HG13 ' HB3' ' B' ' 61' ' ' LEU . 42.9 t -105.18 131.41 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.463 0.649 . . . . 0.0 111.058 -178.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 58.1 t0 -96.93 144.83 26.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.477 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.594 ' CE2' ' CG1' ' B' ' 75' ' ' VAL . 77.3 t80 -50.9 -37.88 46.45 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.414 ' O ' HG22 ' B' ' 75' ' ' VAL . 94.3 mt-30 -58.94 -39.17 80.8 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.588 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.489 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 98.7 mt-10 -68.4 -41.34 80.62 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.712 0.768 . . . . 0.0 109.975 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.82 -40.85 95.87 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.594 ' CG1' ' CE2' ' B' ' 71' ' ' PHE . 27.5 m -62.4 -36.5 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 119.882 -0.727 . . . . 0.0 111.897 -177.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.2 -44.68 99.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 C-N-CA 119.008 -1.077 . . . . 0.0 110.396 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.667 HD22 HD21 ' B' ' 61' ' ' LEU . 24.9 tp -67.71 -42.16 82.43 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.6 p -57.88 -35.21 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 119.671 -0.811 . . . . 0.0 111.015 -177.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 75' ' ' VAL . . . -60.79 -39.08 87.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.3 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.12 -40.98 74.56 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.349 -0.541 . . . . 0.0 110.701 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.439 HD13 HD11 ' B' ' 45' ' ' LEU . 73.7 mt -64.1 -38.28 90.48 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -178.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.561 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 0.6 OUTLIER -58.04 -41.23 82.78 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.141 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.78 -41.4 90.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.691 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.8 -30.79 71.85 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.638 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -54.26 -39.35 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.309 -179.194 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.523 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 49.6 t-20 -58.4 -38.13 76.74 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.392 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 CA--C 1.519 -0.246 0 C-N-CA 120.174 -0.611 . . . . 0.0 109.889 -179.06 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.493 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 95.4 p . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.762 0.315 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.78 -37.14 85.51 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.91 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' B' ' 40' ' ' GLU . 36.9 tp -60.42 -39.97 89.32 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.55 -41.2 94.07 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 119.533 -0.867 . . . . 0.0 109.619 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.8 m -66.03 -39.28 90.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.557 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -47.66 77.45 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.1 mtm -57.2 -42.31 81.02 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 118.647 -1.221 . . . . 0.0 108.947 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -65.95 -37.75 86.82 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 113.744 -1.571 . . . . 0.0 109.479 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.5 m -61.56 -42.17 98.44 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.422 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.89 -44.12 86.51 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.617 0.723 . . . . 0.0 109.709 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.2 mt -67.0 -38.0 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.452 178.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -60.19 -41.14 92.31 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.584 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.1 m -76.02 -38.56 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.513 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.553 ' CE2' ' CG ' ' A' ' 71' ' ' PHE . 2.5 t80 -62.6 -47.97 81.45 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.865 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -61.85 -45.07 95.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.361 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.45 -52.01 44.64 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.236 -0.586 . . . . 0.0 112.507 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.574 ' CB ' HD21 ' A' ' 36' ' ' LEU . 87.0 m-70 -64.3 -46.12 84.99 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 89.9 p -61.8 -30.89 71.11 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.059 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.48 -33.97 83.65 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.261 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -58.38 -39.18 78.91 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.665 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.515 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -131.49 149.8 52.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.959 0.409 . . . . 0.0 111.397 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.74 -159.96 6.97 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.82 146.48 49.68 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.08 0.467 . . . . 0.0 110.354 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' O ' ' OG ' ' A' ' 19' ' ' SER . 62.5 mttt -58.72 -33.23 69.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.131 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.4 m-85 -102.59 11.41 37.83 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -175.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -130.85 135.39 47.67 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.782 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.7 mt -101.21 138.0 38.81 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 121.385 0.612 . . . . 0.0 110.865 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.4 m -102.97 161.5 13.7 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -52.57 -40.41 62.57 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.885 -1.126 . . . . 0.0 109.149 -178.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -61.24 -50.04 74.67 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.158 -0.617 . . . . 0.0 111.987 177.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.515 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.6 mt-10 -63.17 -40.43 97.51 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.304 -176.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.413 ' CD1' HG11 ' A' ' 69' ' ' VAL . 8.6 tt -62.59 -41.23 98.84 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.631 -1.168 . . . . 0.0 109.165 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.488 ' HD3' HG21 ' A' ' 54' ' ' VAL . 15.4 tptm -60.79 -46.13 91.7 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.599 177.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' O ' HG22 ' A' ' 39' ' ' THR . 77.8 mm-40 -66.26 -37.3 85.16 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 119.918 -0.713 . . . . 0.0 111.439 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.574 HD21 ' CB ' ' A' ' 18' ' ' HIS . 92.1 mt -65.78 -47.0 76.63 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 119.341 -0.944 . . . . 0.0 112.342 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.488 HD21 ' OH ' ' A' ' 74' ' ' TYR . 64.8 mt -68.23 -42.43 79.75 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.145 -1.022 . . . . 0.0 110.598 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.41 -41.86 98.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.953 -1.021 . . . . 0.0 112.938 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.7 t -85.04 -45.74 11.83 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.452 -178.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.532 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 78.4 mm-40 -72.18 -35.2 68.91 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.447 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.1 mt -121.86 41.62 3.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.378 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -53.81 -33.41 55.99 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.188 -179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.79 -63.7 1.73 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.486 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -58.59 -44.75 89.95 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -89.7 -3.12 58.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.22 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.531 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.2 t0 -25.63 115.4 0.05 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.759 0.79 . . . . 0.0 110.897 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.549 ' O ' ' O ' ' A' ' 50' ' ' ASP . . . -62.88 -27.88 69.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.36 -1.291 . . . . 0.0 113.377 -177.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -56.77 -39.75 74.6 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.587 -177.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -63.53 -38.47 91.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.753 ' HB3' ' HB2' ' A' ' 53' ' ' ALA . 87.2 m-20 -106.41 152.65 23.33 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.29 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.0 t -108.88 126.83 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 46.24 34.37 2.16 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.055 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.753 ' HB2' ' HB3' ' A' ' 50' ' ' ASP . . . -63.3 -33.5 75.66 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.046 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.488 HG21 ' HD3' ' A' ' 34' ' ' LYS . 71.4 t -58.49 -44.92 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.322 -178.164 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 90.2 m-20 -62.4 -42.32 99.34 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.424 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -60.32 -40.0 89.04 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.254 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.2 -44.61 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.509 ' SD ' ' C ' ' A' ' 58' ' ' MET . 2.4 ppp? -67.41 -39.9 85.55 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 72.9 mmtt -59.7 -38.32 81.28 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 119.336 -0.946 . . . . 0.0 111.716 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.47 -39.26 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.674 -0.811 . . . . 0.0 110.472 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.509 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 81.3 mt -68.41 -35.93 78.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.159 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 97.9 m-20 -91.34 33.17 0.99 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -178.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -53.14 -33.07 50.8 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.561 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.627 ' ND2' ' OD2' ' A' ' 66' ' ' ASP . 17.8 p30 -55.79 -30.38 61.24 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.875 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.27 6.52 62.88 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.684 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.1 p30 -61.21 -35.08 76.21 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.684 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.76 -10.26 70.6 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.482 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 83.6 tt0 -121.67 154.86 36.28 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.413 HG11 ' CD1' ' A' ' 33' ' ' LEU . 47.8 t -101.24 129.7 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 119.404 -0.919 . . . . 0.0 111.623 -178.189 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -88.94 131.58 35.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.229 -1.35 . . . . 0.0 110.05 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.553 ' CG ' ' CE2' ' A' ' 15' ' ' PHE . 78.2 t80 -51.29 -38.7 54.25 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.375 -179.112 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.482 ' HG2' HG11 ' B' ' 83' ' ' VAL . 83.5 mt-30 -58.17 -39.8 79.8 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.684 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.9 mt-10 -68.51 -38.62 81.09 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.178 0.513 . . . . 0.0 110.848 178.335 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.488 ' OH ' HD21 ' A' ' 37' ' ' LEU . 90.2 t80 -63.33 -42.45 98.98 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.555 HG21 HG21 ' B' ' 83' ' ' VAL . 32.8 m -65.51 -32.54 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.917 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.8 t -63.1 -47.15 93.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 119.276 -0.97 . . . . 0.0 110.551 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 77' ' ' LEU . 2.6 mm? -73.11 -39.57 65.68 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -56.42 -36.68 47.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.18 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.403 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.58 -39.49 88.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.105 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.42 -40.62 81.15 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.913 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.82 -40.75 97.37 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.294 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.2 t -61.21 -45.07 96.08 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 118.665 -1.214 . . . . 0.0 109.382 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.573 HG21 HG21 ' B' ' 75' ' ' VAL . 96.4 t -66.09 -39.59 84.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.318 178.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.58 74.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.742 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 75.2 m -55.69 -36.98 67.75 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.31 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -57.17 -34.73 68.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.186 -179.033 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.532 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 95.2 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.749 0.309 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.84 -37.03 85.18 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.896 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 40' ' ' GLU . 37.1 tp -60.42 -40.01 89.48 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.144 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.63 -41.17 94.35 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 119.546 -0.862 . . . . 0.0 109.544 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 48.9 m -65.99 -39.3 90.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.557 178.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' B' ' 11' ' ' LEU . . . -64.67 -47.71 77.44 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.0 mtm -57.17 -42.33 80.91 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 118.625 -1.23 . . . . 0.0 108.984 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -65.98 -37.7 86.65 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 113.638 -1.619 . . . . 0.0 109.48 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.0 m -61.5 -42.2 98.44 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.419 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 7' ' ' ALA . 89.0 mt -57.96 -44.01 86.77 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.675 0.75 . . . . 0.0 109.714 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.4 mt -67.05 -38.0 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.41 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -60.21 -41.19 92.52 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.565 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.2 m -75.92 -38.59 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 C-N-CA 119.924 -0.711 . . . . 0.0 110.557 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.558 ' CE2' ' CG ' ' B' ' 71' ' ' PHE . 2.6 t80 -62.56 -48.03 81.26 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.887 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -61.78 -45.08 95.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.399 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.42 -52.08 44.02 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.241 -0.584 . . . . 0.0 112.431 -178.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.568 ' CB ' HD21 ' B' ' 36' ' ' LEU . 87.1 m-70 -64.24 -46.19 84.89 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.466 ' O ' ' O ' ' B' ' 22' ' ' GLU . 89.6 p -61.83 -30.9 71.14 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.024 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.43 -34.12 84.02 Favored Glycine 0 CA--C 1.526 0.727 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.27 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -58.2 -39.26 78.52 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.706 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.508 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.8 mm-40 -131.49 149.8 52.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.957 0.408 . . . . 0.0 111.367 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.7 -159.95 6.91 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.79 146.55 49.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.07 0.462 . . . . 0.0 110.355 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -58.77 -33.33 70.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.093 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.429 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 1.4 m-85 -102.49 11.37 38.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -175.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -130.91 135.41 47.65 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.693 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.7 mt -101.21 137.94 38.9 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.389 0.614 . . . . 0.0 110.894 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 54.7 m -102.91 161.54 13.67 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -52.55 -40.44 62.55 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.187 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -61.31 -49.99 74.76 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.982 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.508 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.6 mt-10 -63.14 -40.51 97.79 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.249 -176.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.421 ' CD1' HG11 ' B' ' 69' ' ' VAL . 8.6 tt -62.51 -41.17 98.65 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.259 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.475 ' HD3' HG21 ' B' ' 54' ' ' VAL . 15.4 tptm -60.81 -46.11 91.82 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.628 177.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.407 ' O ' HG22 ' B' ' 39' ' ' THR . 77.8 mm-40 -66.32 -37.21 84.86 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 119.826 -0.75 . . . . 0.0 111.472 179.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.568 HD21 ' CB ' ' B' ' 18' ' ' HIS . 91.9 mt -65.96 -46.75 76.97 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 119.201 -1.0 . . . . 0.0 112.381 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.482 HD21 ' OH ' ' B' ' 74' ' ' TYR . 64.4 mt -68.26 -42.45 79.58 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 119.107 -1.037 . . . . 0.0 110.605 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.37 -41.94 98.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.892 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.476 HG23 ' N ' ' B' ' 40' ' ' GLU . 2.7 t -84.93 -45.81 11.86 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.141 -0.624 . . . . 0.0 112.465 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.514 ' HB3' HD23 ' A' ' 4' ' ' LEU . 78.3 mm-40 -72.22 -35.1 68.78 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.296 -0.562 . . . . 0.0 111.454 -178.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 76.4 mt -121.8 41.53 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.403 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -53.94 -33.31 56.42 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.193 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.82 -63.73 1.73 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.46 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -58.5 -44.74 89.56 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -89.84 -3.06 58.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.098 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.533 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.2 t0 -25.63 115.45 0.05 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.723 0.773 . . . . 0.0 110.855 -177.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.565 ' O ' ' O ' ' B' ' 50' ' ' ASP . . . -62.92 -27.88 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.365 -1.288 . . . . 0.0 113.44 -177.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -56.76 -39.76 74.61 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.374 -0.93 . . . . 0.0 111.592 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -63.6 -38.28 90.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.755 ' HB3' ' HB2' ' B' ' 53' ' ' ALA . 87.3 m-20 -106.65 152.68 23.44 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.268 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.9 t -108.78 126.78 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 46.18 34.44 2.14 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.071 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.755 ' HB2' ' HB3' ' B' ' 50' ' ' ASP . . . -63.28 -33.49 75.62 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.143 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.475 HG21 ' HD3' ' B' ' 34' ' ' LYS . 71.7 t -58.49 -44.91 90.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.362 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.31 -42.39 99.32 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.441 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -60.34 -39.94 88.92 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.895 -0.722 . . . . 0.0 110.227 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.6 t -67.27 -44.61 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.515 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.4 ppp? -67.43 -39.85 85.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -59.73 -38.26 81.23 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.282 -0.967 . . . . 0.0 111.748 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.49 -39.31 93.56 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.403 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.508 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 81.3 mt -68.27 -35.98 78.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.157 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.483 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 97.9 m-20 -91.46 33.31 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -53.21 -33.01 50.98 Favored 'General case' 0 CA--C 1.503 -0.838 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.574 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.627 ' ND2' ' OD2' ' B' ' 66' ' ' ASP . 18.0 p30 -55.83 -30.34 61.27 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.884 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.28 6.46 62.9 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.676 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.1 p30 -61.09 -35.06 75.97 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.676 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.7 -10.38 70.68 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.483 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 83.7 tt0 -121.63 155.0 36.04 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.421 HG11 ' CD1' ' B' ' 33' ' ' LEU . 48.0 t -101.38 129.74 52.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 119.351 -0.94 . . . . 0.0 111.55 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -88.9 131.59 35.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.207 -1.36 . . . . 0.0 110.087 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.558 ' CG ' ' CE2' ' B' ' 15' ' ' PHE . 78.2 t80 -51.23 -38.77 54.38 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.384 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.473 ' HG2' HG11 ' A' ' 83' ' ' VAL . 83.5 mt-30 -58.18 -39.77 79.78 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.691 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.508 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 99.0 mt-10 -68.49 -38.64 81.18 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.174 0.511 . . . . 0.0 110.803 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.482 ' OH ' HD21 ' B' ' 37' ' ' LEU . 90.3 t80 -63.3 -42.49 99.04 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.573 HG21 HG21 ' A' ' 83' ' ' VAL . 32.8 m -65.5 -32.57 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.915 -178.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.01 -47.23 93.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 119.382 -0.927 . . . . 0.0 110.538 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.617 HD22 ' N ' ' B' ' 77' ' ' LEU . 2.5 mm? -73.14 -39.51 65.65 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -56.45 -36.66 48.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 C-N-CA 119.164 -1.014 . . . . 0.0 111.152 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.411 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.68 -39.34 88.07 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.137 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.71 81.28 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.936 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.9 mt -63.66 -40.87 97.92 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.411 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.2 t -61.22 -45.05 96.17 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 118.607 -1.237 . . . . 0.0 109.33 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.555 HG21 HG21 ' A' ' 75' ' ' VAL . 96.5 t -66.07 -39.54 84.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.302 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.83 -33.49 74.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.786 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 75.4 m -55.76 -36.87 67.79 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.36 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -57.31 -34.64 68.93 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.212 -179.059 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.952 0.406 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.42 -34.33 75.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.763 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.459 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 41.2 tp -57.85 -41.15 81.8 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.68 -40.85 93.68 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.48 -0.888 . . . . 0.0 108.978 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.8 m -65.51 -37.62 87.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.115 177.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.13 73.85 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.85 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.1 mtm -59.17 -40.92 87.17 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 118.711 -1.196 . . . . 0.0 109.777 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 97.9 mt-10 -67.15 -37.41 83.74 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.826 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 14' ' ' VAL . 46.7 m -62.2 -43.67 98.31 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.72 -44.57 96.66 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -65.66 -43.61 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.073 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 24.5 m120 -60.39 -40.14 89.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 10' ' ' THR . 71.1 t -66.54 -42.84 90.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 121.508 0.67 . . . . 0.0 109.684 178.384 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.452 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 4.6 t80 -62.07 -51.81 66.46 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.592 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.51 -38.2 89.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.654 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.3 95.89 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.43 ' ND1' HD21 ' A' ' 36' ' ' LEU . 63.9 m170 -99.5 -28.29 13.31 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.477 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 23.3 t -58.47 -37.82 76.27 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.274 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.73 -28.45 65.58 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-N 115.879 -0.6 . . . . 0.0 113.154 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -56.7 -40.26 75.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.434 0.617 . . . . 0.0 112.161 -177.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.526 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.7 mm-40 -140.53 138.91 34.9 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.077 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.0 -163.81 53.83 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -72.74 144.33 47.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.75 0.309 . . . . 0.0 110.369 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.477 ' O ' ' OG ' ' A' ' 19' ' ' SER . 86.5 mttt -59.42 -38.4 80.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 122.363 1.078 . . . . 0.0 108.782 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.505 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 69.5 m-85 -69.53 -25.37 63.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 112.965 -1.925 . . . . 0.0 113.208 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CB ' ' OE2' ' A' ' 68' ' ' GLU . 16.0 mmtm -114.04 141.98 46.76 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 28' ' ' LEU . 86.1 mt -100.47 139.72 35.76 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.903 175.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.7 t -100.54 156.16 17.44 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -50.77 -38.92 50.8 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.195 -1.002 . . . . 0.0 108.835 -178.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -61.66 -51.58 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.108 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.526 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.9 mt-10 -65.01 -40.95 95.63 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.452 -176.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.424 ' O ' HD13 ' A' ' 37' ' ' LEU . 8.2 tt -64.19 -42.87 96.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.498 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.595 ' HD3' HG21 ' A' ' 54' ' ' VAL . 9.6 tptp -60.87 -46.69 89.6 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.198 178.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.497 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -67.84 -37.54 82.02 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.556 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.43 HD21 ' ND1' ' A' ' 18' ' ' HIS . 19.0 mt -64.79 -47.99 76.07 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 119.417 -0.913 . . . . 0.0 112.067 178.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.508 ' CB ' HD23 ' A' ' 45' ' ' LEU . 7.0 mp -71.69 -47.41 54.28 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.407 -0.917 . . . . 0.0 111.852 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -63.2 -41.98 99.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.656 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -81.44 -45.5 15.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.876 -0.73 . . . . 0.0 112.749 -178.684 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.794 ' C ' HD22 ' A' ' 41' ' ' LEU . 95.6 mt-10 -71.87 -35.51 69.8 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 119.18 -1.008 . . . . 0.0 111.785 -178.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.794 HD22 ' C ' ' A' ' 40' ' ' GLU . 4.3 mm? -125.23 61.48 1.2 Allowed 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.825 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 m -55.02 -32.74 62.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.239 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.71 -69.87 1.36 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.489 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -57.77 -41.74 82.61 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.754 HD22 ' HB2' ' A' ' 41' ' ' LEU . 3.6 mp -92.06 -3.08 56.23 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.7 t0 -26.3 97.48 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.278 0.561 . . . . 0.0 111.616 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' ASP . . . -65.28 -21.77 66.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.974 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -50.98 -36.63 40.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.362 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.5 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 73.8 mmtt -58.03 -37.41 74.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.578 ' CB ' ' HB2' ' A' ' 53' ' ' ALA . 89.9 m-20 -140.55 98.57 3.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.943 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.1 t -62.37 -40.9 89.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.439 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 49.0 p30 -89.14 5.36 44.98 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.542 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.578 ' HB2' ' CB ' ' A' ' 50' ' ' ASP . . . -63.15 -32.26 73.61 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.595 HG21 ' HD3' ' A' ' 34' ' ' LYS . 75.7 t -59.9 -45.05 95.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.436 -178.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -62.09 -42.21 98.98 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.606 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -62.3 -39.93 94.61 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.033 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 53' ' ' ALA . 70.8 t -66.39 -45.9 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.103 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.431 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 2.6 ppp? -66.95 -36.25 81.8 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.343 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.431 ' N ' ' HG3' ' A' ' 58' ' ' MET . 81.6 tttt -58.61 -41.49 85.99 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.393 -178.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.15 -39.04 92.45 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.029 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.012 HD11 HD22 ' A' ' 77' ' ' LEU . 46.6 mt -68.12 -35.74 78.62 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 120.971 0.415 . . . . 0.0 110.819 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 98.7 m-20 -91.43 32.17 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.976 -179.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.99 -29.87 44.84 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.409 176.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.419 ' ND2' ' OE2' ' A' ' 73' ' ' GLU . 43.6 m-20 -51.75 -32.95 32.78 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.48 -1.236 . . . . 0.0 109.404 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.07 1.81 61.12 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.7 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.0 p30 -61.64 -35.98 79.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.765 -0.718 . . . . 0.0 111.531 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.7 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 90.01 -6.65 82.63 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 79.8 tt0 -122.77 148.32 45.49 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.75 128.67 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 119.804 -0.758 . . . . 0.0 110.665 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -87.36 134.22 33.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.475 -1.238 . . . . 0.0 110.666 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.452 ' CD1' ' CE2' ' A' ' 15' ' ' PHE . 88.6 t80 -50.45 -39.17 46.97 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.914 -0.714 . . . . 0.0 110.296 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.502 ' O ' HG12 ' A' ' 75' ' ' VAL . 63.3 tt0 -55.98 -41.0 74.11 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.519 -0.873 . . . . 0.0 109.543 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.419 ' OE2' ' ND2' ' A' ' 64' ' ' ASN . 99.4 mt-10 -68.11 -39.74 82.71 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.093 0.473 . . . . 0.0 110.8 178.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.493 ' CE2' HG11 ' A' ' 78' ' ' VAL . 85.8 t80 -65.27 -43.37 91.48 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.564 HG22 ' HB1' ' B' ' 79' ' ' ALA . 5.5 p -56.68 -36.41 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.749 -178.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.44 HG13 HG13 ' B' ' 76' ' ' VAL . 70.3 t -66.71 -41.39 87.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.056 178.166 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.012 HD22 HD11 ' A' ' 61' ' ' LEU . 35.9 tp -61.3 -42.48 98.72 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.355 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 82' ' ' THR . 23.0 m -71.55 -33.68 50.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 119.203 -0.999 . . . . 0.0 110.544 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.915 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -60.98 -45.85 93.13 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.684 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.52 76.48 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.591 HD21 HD11 ' A' ' 45' ' ' LEU . 26.1 tp -60.7 -38.63 85.65 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.67 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 78' ' ' VAL . 11.6 p -58.17 -40.19 80.83 Favored 'General case' 0 CA--C 1.501 -0.927 0 C-N-CA 119.547 -0.861 . . . . 0.0 109.018 -178.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.437 ' HA ' ' ND2' ' A' ' 86' ' ' ASN . 74.1 t -63.84 -41.08 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.293 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.129 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.48 -34.16 77.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.58 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -34.36 73.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.961 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.437 ' ND2' ' HA ' ' A' ' 83' ' ' VAL . 84.1 m-20 -56.08 -34.12 65.67 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.492 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 CA--C 1.516 -0.349 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.833 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 120.91 0.386 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.36 -34.43 75.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.775 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.455 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 41.2 tp -57.81 -41.07 81.44 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.71 -40.84 93.77 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.008 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 49.8 m -65.61 -37.46 86.67 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.122 177.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.08 -49.05 73.8 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.836 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 56.2 mtm -59.17 -40.96 87.26 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 118.711 -1.196 . . . . 0.0 109.759 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.442 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 97.8 mt-10 -67.14 -37.37 83.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.837 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.475 ' O ' HG23 ' B' ' 14' ' ' VAL . 47.3 m -62.22 -43.68 98.28 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.76 -44.53 96.71 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -65.65 -43.62 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.026 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 24.5 m120 -60.43 -40.14 89.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 10' ' ' THR . 70.7 t -66.56 -42.84 90.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.472 0.654 . . . . 0.0 109.672 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.446 ' CE2' ' CD1' ' B' ' 71' ' ' PHE . 4.6 t80 -62.11 -51.78 66.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.606 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.45 -38.2 88.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.701 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.26 95.96 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -176.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.425 ' ND1' HD21 ' B' ' 36' ' ' LEU . 63.7 m170 -99.49 -28.37 13.28 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.3 t -58.46 -37.8 76.21 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.256 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.75 -28.44 65.61 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-N 115.893 -0.594 . . . . 0.0 113.122 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -56.69 -40.27 75.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 117.454 0.627 . . . . 0.0 112.119 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.538 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.7 mm-40 -140.54 138.92 34.89 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.226 -0.589 . . . . 0.0 111.06 178.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.01 -163.77 53.85 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.83 144.31 47.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.766 0.317 . . . . 0.0 110.355 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.479 ' O ' ' OG ' ' B' ' 19' ' ' SER . 86.4 mttt -59.36 -38.37 80.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 122.421 1.105 . . . . 0.0 108.822 179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.512 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 69.3 m-85 -69.57 -25.47 64.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 112.927 -1.942 . . . . 0.0 113.108 -177.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.467 ' CB ' ' OE2' ' B' ' 68' ' ' GLU . 16.1 mmtm -114.02 141.98 46.75 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' B' ' 28' ' ' LEU . 86.4 mt -100.44 139.75 35.67 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.946 175.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.7 t -100.58 156.18 17.45 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -50.85 -38.89 51.91 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.145 -1.022 . . . . 0.0 108.812 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -61.65 -51.59 67.85 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 119.915 -0.714 . . . . 0.0 112.139 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.538 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.9 mt-10 -64.95 -41.05 95.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.411 -176.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.429 ' O ' HD13 ' B' ' 37' ' ' LEU . 8.2 tt -64.18 -42.82 96.52 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.553 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.594 ' HD3' HG21 ' B' ' 54' ' ' VAL . 9.6 tptp -60.9 -46.67 89.7 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 114.552 -1.204 . . . . 0.0 112.209 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.498 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -67.83 -37.51 82.0 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.613 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.425 HD21 ' ND1' ' B' ' 18' ' ' HIS . 19.0 mt -64.86 -47.94 76.1 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 119.402 -0.919 . . . . 0.0 112.08 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.519 ' CB ' HD23 ' B' ' 45' ' ' LEU . 7.0 mp -71.7 -47.38 54.46 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.369 -0.932 . . . . 0.0 111.888 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -63.18 -42.08 99.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.637 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.498 HG22 ' O ' ' B' ' 35' ' ' GLU . 0.7 OUTLIER -81.25 -45.64 15.98 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.906 -0.718 . . . . 0.0 112.774 -178.674 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.803 ' C ' HD22 ' B' ' 41' ' ' LEU . 95.7 mt-10 -71.88 -35.5 69.78 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 119.138 -1.025 . . . . 0.0 111.747 -178.127 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.803 HD22 ' C ' ' B' ' 40' ' ' GLU . 4.3 mm? -125.24 61.51 1.2 Allowed 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.878 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.9 m -55.01 -32.71 62.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.25 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.76 -69.87 1.36 Allowed Glycine 0 CA--C 1.531 1.088 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.415 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -57.86 -41.6 82.77 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.745 HD22 ' HB2' ' B' ' 41' ' ' LEU . 3.6 mp -92.19 -3.06 56.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.7 t0 -26.24 97.46 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.351 0.596 . . . . 0.0 111.627 -178.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' B' ' 50' ' ' ASP . . . -65.29 -21.77 66.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.051 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -50.94 -36.67 39.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.347 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.507 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 73.8 mmtt -58.01 -37.44 74.29 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.576 ' CB ' ' HB2' ' B' ' 53' ' ' ALA . 89.9 m-20 -140.56 98.57 3.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.857 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.32 -40.95 89.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.435 ' OD1' ' C ' ' B' ' 52' ' ' ASP . 48.9 p30 -89.08 5.26 45.3 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.576 ' HB2' ' CB ' ' B' ' 50' ' ' ASP . . . -63.04 -32.36 73.71 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.995 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.594 HG21 ' HD3' ' B' ' 34' ' ' LYS . 75.4 t -59.94 -44.96 95.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.421 -178.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -62.09 -42.3 99.07 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.166 -0.613 . . . . 0.0 110.547 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -62.28 -39.89 94.42 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.082 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 53' ' ' ALA . 70.6 t -66.41 -45.88 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.111 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.425 ' HG3' ' N ' ' B' ' 59' ' ' LYS . 2.6 ppp? -66.96 -36.16 81.59 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.36 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' B' ' 58' ' ' MET . 81.6 tttt -58.66 -41.51 86.27 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.431 -179.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.12 -39.03 92.5 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.063 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.983 HD11 HD22 ' B' ' 77' ' ' LEU . 46.8 mt -68.08 -35.79 78.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.929 0.395 . . . . 0.0 110.839 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 98.6 m-20 -91.42 32.23 1.08 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.012 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.02 -29.87 45.25 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.392 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.402 ' ND2' ' OE2' ' B' ' 73' ' ' GLU . 43.7 m-20 -51.8 -32.91 33.22 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.38 -177.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.04 1.82 61.15 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 108.755 -1.738 . . . . 0.0 108.755 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.695 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.1 p30 -61.65 -35.98 79.51 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.784 -0.708 . . . . 0.0 111.478 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.695 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 89.97 -6.67 82.65 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 79.9 tt0 -122.77 148.26 45.56 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.4 t -100.72 128.69 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.707 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -87.39 134.23 33.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.676 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.446 ' CD1' ' CE2' ' B' ' 15' ' ' PHE . 88.7 t80 -50.45 -39.23 47.14 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.941 -0.703 . . . . 0.0 110.282 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.508 ' O ' HG12 ' B' ' 75' ' ' VAL . 63.3 tt0 -55.9 -41.03 73.9 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.542 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.402 ' OE2' ' ND2' ' B' ' 64' ' ' ASN . 99.4 mt-10 -68.1 -39.78 82.74 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.068 0.461 . . . . 0.0 110.764 178.269 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.497 ' CE2' HG11 ' B' ' 78' ' ' VAL . 85.9 t80 -65.25 -43.41 91.44 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.542 HG22 ' HB1' ' A' ' 79' ' ' ALA . 5.5 p -56.6 -36.5 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.709 -178.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.44 HG13 HG13 ' A' ' 76' ' ' VAL . 70.8 t -66.61 -41.5 88.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.124 178.129 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.983 HD22 HD11 ' B' ' 61' ' ' LEU . 35.8 tp -61.29 -42.44 98.64 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.391 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.61 ' O ' HG23 ' B' ' 82' ' ' THR . 23.1 m -71.52 -33.65 50.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.6 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.915 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -60.96 -45.86 93.06 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.688 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.17 -34.52 76.46 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.591 HD21 HD11 ' B' ' 45' ' ' LEU . 26.1 tp -60.69 -38.57 85.42 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.718 -178.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.61 HG23 ' O ' ' B' ' 78' ' ' VAL . 11.6 p -58.2 -40.2 80.98 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 119.564 -0.854 . . . . 0.0 109.013 -178.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.441 ' HA ' ' ND2' ' B' ' 86' ' ' ASN . 74.6 t -63.88 -40.96 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.106 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.58 -34.12 77.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.537 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -34.31 73.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.955 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.441 ' ND2' ' HA ' ' B' ' 83' ' ' VAL . 84.2 m-20 -56.08 -34.07 65.64 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.519 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 CA--C 1.515 -0.382 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.533 -179.89 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.725 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p -69.67 161.87 28.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.703 0.287 . . . . 0.0 110.582 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -62.1 -35.61 79.24 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.686 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.532 HD22 ' OE1' ' B' ' 40' ' ' GLU . 33.5 tp -58.67 -39.37 80.48 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.794 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.4 -40.63 87.23 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 119.709 -0.796 . . . . 0.0 109.117 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.0 m -65.29 -39.11 92.11 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.181 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.53 93.39 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.682 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.445 ' SD ' HD21 ' B' ' 41' ' ' LEU . 54.3 mtm -57.99 -40.3 80.37 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 118.573 -1.251 . . . . 0.0 108.375 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 97.7 mt-10 -66.7 -36.16 81.85 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.234 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.2 m -61.11 -43.41 98.93 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.364 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.37 -45.61 92.89 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.46 0.648 . . . . 0.0 111.07 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.7 mt -68.14 -41.41 84.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.973 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 21.9 m120 -60.1 -40.57 90.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.472 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 m -74.9 -38.02 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.619 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CE2' ' O ' ' A' ' 25' ' ' LYS . 90.5 t80 -60.29 -45.31 93.81 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.195 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.92 -44.32 91.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.467 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.04 -51.65 36.78 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.826 ' CB ' HD21 ' A' ' 36' ' ' LEU . 39.9 m80 -65.47 -48.42 72.74 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.3 m -59.55 -34.97 73.35 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.44 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.34 -27.35 60.47 Favored Glycine 0 CA--C 1.524 0.595 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.656 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -55.76 -38.94 70.53 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 119.996 -0.681 . . . . 0.0 110.887 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.487 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 94.5 mt-10 -140.06 142.83 36.14 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.378 0.609 . . . . 0.0 111.911 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.81 -148.24 45.57 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.437 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -83.51 133.24 34.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.53 -0.835 . . . . 0.0 111.28 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.582 ' O ' ' CE2' ' A' ' 15' ' ' PHE . 67.6 mttm -56.28 -38.86 71.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.738 0.78 . . . . 0.0 109.363 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 3.2 m-30 -71.56 -19.33 62.17 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.875 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.598 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 39.2 tptt -112.29 134.18 53.98 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.456 HD23 ' HB2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -101.83 130.63 48.32 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.755 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.8 p -100.52 160.01 14.69 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -56.4 -40.65 75.0 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.215 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.84 -49.15 78.64 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 119.073 -1.051 . . . . 0.0 110.589 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.487 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 98.4 mt-10 -62.61 -38.38 89.95 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.435 -177.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.29 -44.91 95.44 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.221 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.564 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 4.9 tptp -60.31 -42.28 95.22 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.812 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' HG22 ' A' ' 39' ' ' THR . 78.3 mm-40 -70.26 -38.88 75.21 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.384 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.826 HD21 ' CB ' ' A' ' 18' ' ' HIS . 93.6 mt -66.36 -48.15 71.12 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.53 -0.868 . . . . 0.0 112.006 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.419 ' HB3' HD23 ' A' ' 45' ' ' LEU . 62.7 mt -68.85 -44.07 74.12 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 118.94 -1.104 . . . . 0.0 110.792 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.564 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.3 tt0 -64.38 -42.24 96.25 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.486 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.4 t -83.46 -46.62 12.28 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.419 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.661 ' C ' HD12 ' A' ' 41' ' ' LEU . 96.5 mt-10 -73.16 -34.23 65.92 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 119.771 -0.772 . . . . 0.0 111.637 -178.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.661 HD12 ' C ' ' A' ' 40' ' ' GLU . 7.7 mp -123.23 48.16 1.87 Allowed 'General case' 0 C--O 1.236 0.392 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.613 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.8 m -54.29 -33.72 59.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.898 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.77 -65.88 1.53 Allowed Glycine 0 CA--C 1.531 1.085 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.461 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -58.45 -43.56 88.87 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.677 ' O ' ' N ' ' A' ' 47' ' ' ALA . 8.8 mp -96.36 -1.33 47.94 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.542 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 56.0 p30 -18.92 76.56 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.977 0.894 . . . . 0.0 112.668 -177.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -65.44 -20.15 66.24 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.474 -1.239 . . . . 0.0 111.347 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -54.3 -35.94 63.17 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.149 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 13.4 mtpp -59.54 -35.52 74.36 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.81 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.8 m-20 -140.08 91.32 2.45 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.658 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.51 -39.5 83.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.035 0.445 . . . . 0.0 110.553 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -55.89 -33.14 64.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.88 -28.88 64.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.089 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.71 -44.18 80.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.54 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 58' ' ' MET . 90.2 m-20 -61.63 -40.79 96.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.492 0.663 . . . . 0.0 110.196 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -60.74 -39.94 90.53 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.033 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.9 t -67.29 -44.92 87.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.077 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.532 ' SD ' ' C ' ' A' ' 58' ' ' MET . 1.8 ppp? -62.99 -37.14 85.97 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 58' ' ' MET . 49.0 tptt -57.74 -41.47 81.95 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.239 -178.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.99 -37.13 85.15 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.574 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.714 HD21 HD22 ' A' ' 77' ' ' LEU . 82.8 mt -67.02 -37.95 85.06 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.493 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 39.8 t0 -78.32 86.12 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.135 -1.026 . . . . 0.0 112.138 -178.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -66.68 -38.85 87.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.881 0.848 . . . . 0.0 109.323 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -59.08 -36.93 75.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.048 -1.433 . . . . 0.0 112.064 -178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.6 4.07 70.7 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 108.255 -1.938 . . . . 0.0 108.255 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.664 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.8 p30 -62.17 -33.11 73.89 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 114.228 -0.986 . . . . 0.0 112.48 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.664 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.83 -5.17 59.66 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 82.8 tt0 -117.33 145.29 44.12 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.9 t -104.72 134.47 46.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.53 0.681 . . . . 0.0 112.8 -176.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.598 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 82.0 m-20 -99.62 152.27 20.24 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.985 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.512 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 77.6 t80 -54.84 -39.59 68.73 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.043 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.422 ' O ' HG22 ' A' ' 75' ' ' VAL . 63.2 tt0 -56.29 -40.59 74.55 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.199 -0.601 . . . . 0.0 109.88 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.67 -40.22 84.44 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.414 0.626 . . . . 0.0 110.237 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -63.67 -42.51 98.03 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 78' ' ' VAL . 29.9 m -63.83 -36.29 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.009 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.0 t -63.44 -45.37 98.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 119.113 -1.035 . . . . 0.0 110.575 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.714 HD22 HD21 ' A' ' 61' ' ' LEU . 26.7 tp -67.82 -40.84 83.75 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.6 p -57.43 -35.46 49.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.401 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' B' ' 75' ' ' VAL . . . -60.53 -38.73 85.38 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.818 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.67 -41.43 75.51 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.84 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.617 HD13 HD21 ' A' ' 45' ' ' LEU . 73.1 mt -63.31 -39.01 93.38 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -59.38 -42.93 92.82 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 118.746 -1.181 . . . . 0.0 109.779 -179.46 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.91 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.875 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.71 -31.62 72.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.051 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -57.15 -35.7 69.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.407 -179.847 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.444 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 86.3 m-20 -56.64 -34.46 67.32 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.712 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -54.63 -38.98 67.49 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.084 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -60.06 -44.4 94.74 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.4 -41.14 88.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.073 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.43 ' CD1' ' N ' ' A' ' 90' ' ' TRP . 39.5 m0 -55.16 -33.86 63.32 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.643 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.65 -33.4 66.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.572 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -55.07 -36.63 65.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.603 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.586 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.9 p -69.7 161.85 28.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.666 0.269 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -62.05 -35.52 78.86 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.773 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.533 HD22 ' OE1' ' A' ' 40' ' ' GLU . 33.8 tp -58.76 -39.31 80.6 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.806 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.44 -40.57 87.21 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 119.691 -0.803 . . . . 0.0 109.183 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -65.23 -39.21 92.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.165 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.46 93.56 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.725 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.44 ' SD ' HD21 ' A' ' 41' ' ' LEU . 54.3 mtm -57.85 -40.41 80.07 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 118.596 -1.242 . . . . 0.0 108.443 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 97.7 mt-10 -66.63 -36.25 82.12 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.204 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.8 m -60.99 -43.53 98.73 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.353 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.27 -45.76 92.18 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.527 0.68 . . . . 0.0 111.016 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.04 -41.35 84.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.086 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 21.9 m120 -60.14 -40.56 90.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.431 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 m -74.96 -38.0 42.42 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.574 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' B' ' 25' ' ' LYS . 90.3 t80 -60.24 -45.28 93.81 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.97 -44.25 91.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.49 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.09 -51.6 37.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.821 ' CB ' HD21 ' B' ' 36' ' ' LEU . 39.9 m80 -65.45 -48.5 72.49 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.9 m -59.51 -35.0 73.33 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.44 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.32 -27.35 60.4 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.651 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -55.71 -39.05 70.54 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.894 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.482 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 94.6 mt-10 -139.94 142.88 36.37 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.904 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.76 -148.18 45.49 Favored Glycine 0 CA--C 1.524 0.618 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.374 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -83.57 133.19 34.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.484 -0.858 . . . . 0.0 111.26 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.585 ' O ' ' CE2' ' B' ' 15' ' ' PHE . 67.6 mttm -56.17 -38.93 71.57 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.829 0.823 . . . . 0.0 109.376 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.597 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 3.2 m-30 -71.51 -19.37 62.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 113.947 -1.479 . . . . 0.0 111.908 -176.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.606 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 39.1 tptt -112.25 134.08 54.0 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' B' ' 32' ' ' GLU . 0.6 OUTLIER -101.83 130.58 48.31 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -178.758 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 82.7 p -100.44 160.06 14.64 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -56.45 -40.68 75.22 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.196 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.79 -49.19 78.47 Favored 'General case' 0 CA--C 1.507 -0.677 0 C-N-CA 119.071 -1.052 . . . . 0.0 110.639 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.482 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 98.4 mt-10 -62.64 -38.21 89.37 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.466 -177.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 65.4 tp -62.3 -44.93 95.39 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.549 0.69 . . . . 0.0 111.287 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.592 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 4.9 tptp -60.32 -42.26 95.25 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.808 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.433 ' O ' HG22 ' B' ' 39' ' ' THR . 78.3 mm-40 -70.25 -38.9 75.25 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.408 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.821 HD21 ' CB ' ' B' ' 18' ' ' HIS . 93.7 mt -66.38 -48.13 71.15 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 119.468 -0.893 . . . . 0.0 111.999 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.433 ' HB3' HD23 ' B' ' 45' ' ' LEU . 63.2 mt -68.8 -44.09 74.29 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.01 -1.076 . . . . 0.0 110.761 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.592 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.4 tt0 -64.43 -42.22 96.14 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.4 t -83.51 -46.59 12.28 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.417 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.658 ' C ' HD12 ' B' ' 41' ' ' LEU . 96.5 mt-10 -73.18 -34.22 65.88 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.657 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.658 HD12 ' C ' ' B' ' 40' ' ' GLU . 7.7 mp -123.29 48.26 1.86 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.666 0.27 . . . . 0.0 110.619 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 19.9 m -54.5 -33.51 59.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.901 -178.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.8 -65.83 1.53 Allowed Glycine 0 CA--C 1.53 1.011 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.53 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -58.44 -43.63 88.85 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.675 ' O ' ' N ' ' B' ' 47' ' ' ALA . 8.8 mp -96.36 -1.38 47.83 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.54 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 56.2 p30 -18.9 76.67 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.95 0.881 . . . . 0.0 112.611 -177.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.675 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -65.55 -20.03 66.16 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-N 114.424 -1.262 . . . . 0.0 111.413 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -54.34 -35.93 63.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.093 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.503 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 13.4 mtpp -59.55 -35.46 74.28 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.822 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.503 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 91.7 m-20 -140.18 91.39 2.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.651 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.64 -39.53 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.05 0.453 . . . . 0.0 110.499 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -55.71 -33.28 64.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.91 -28.8 64.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.133 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.75 -44.09 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.628 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' B' ' 58' ' ' MET . 90.0 m-20 -61.76 -40.64 95.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.497 0.665 . . . . 0.0 110.275 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -60.77 -39.88 90.47 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.053 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.39 -44.84 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.028 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.537 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -63.0 -37.24 86.4 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.46 ' N ' ' HG3' ' B' ' 58' ' ' MET . 49.0 tptt -57.71 -41.45 81.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.262 -178.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.92 -37.15 85.31 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.656 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.701 HD21 HD22 ' B' ' 77' ' ' LEU . 82.6 mt -67.07 -37.91 84.84 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.474 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 39.9 t0 -78.31 86.12 4.41 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.167 -1.013 . . . . 0.0 112.137 -178.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -66.68 -38.85 87.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.85 0.833 . . . . 0.0 109.274 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -59.14 -36.93 76.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.059 -1.428 . . . . 0.0 112.116 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.62 4.12 70.59 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 108.193 -1.963 . . . . 0.0 108.193 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.659 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.0 p30 -62.27 -33.03 73.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 114.337 -0.932 . . . . 0.0 112.472 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.659 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.85 -5.21 59.64 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.419 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 82.6 tt0 -117.28 145.29 44.06 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.2 t -104.76 134.51 45.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.51 0.671 . . . . 0.0 112.803 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.606 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 81.9 m-20 -99.62 152.32 20.19 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.931 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.508 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 77.9 t80 -54.83 -39.66 68.79 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.072 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.421 ' O ' HG22 ' B' ' 75' ' ' VAL . 63.2 tt0 -56.23 -40.66 74.46 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.875 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.64 -40.26 84.57 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.429 0.633 . . . . 0.0 110.238 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -63.68 -42.41 98.04 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.495 ' O ' HG12 ' B' ' 78' ' ' VAL . 30.3 m -63.9 -36.3 76.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.433 -0.507 . . . . 0.0 112.019 -177.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.1 t -63.5 -45.28 98.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 C-N-CA 119.138 -1.025 . . . . 0.0 110.561 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.701 HD22 HD21 ' B' ' 61' ' ' LEU . 27.0 tp -67.92 -40.9 83.31 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.495 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.5 p -57.38 -35.51 49.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.459 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' A' ' 75' ' ' VAL . . . -60.45 -38.76 85.19 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.475 -0.49 . . . . 0.0 109.868 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.55 -41.49 75.83 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.888 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.615 HD13 HD21 ' B' ' 45' ' ' LEU . 73.1 mt -63.37 -39.03 93.41 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.561 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.0 OUTLIER -59.29 -42.99 92.57 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 118.782 -1.167 . . . . 0.0 109.797 -179.539 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 93.6 t -64.01 -40.44 89.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.829 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.82 -31.52 72.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.037 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -57.13 -35.77 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.462 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.439 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 86.0 m-20 -56.49 -34.59 67.08 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.739 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -54.69 -38.96 67.63 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.062 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.01 -44.44 94.58 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -59.5 -41.13 89.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.982 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.441 ' N ' ' CD1' ' B' ' 90' ' ' TRP . 39.3 m0 -55.09 -33.97 63.25 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.64 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.58 -33.33 66.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -55.08 -36.75 65.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.537 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.582 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t -118.54 136.38 53.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.561 0.219 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -64.59 -38.39 90.84 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.528 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.9 -40.03 94.05 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.905 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.58 -40.63 95.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.5 m -64.84 -37.96 89.38 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.636 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.53 -49.25 72.0 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.593 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.4 mtm -59.41 -41.03 88.52 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.496 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 97.9 mt-10 -66.98 -37.49 84.33 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.971 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.3 m -62.06 -45.17 94.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.76 -47.47 86.16 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 119.626 -0.829 . . . . 0.0 110.74 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.408 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 86.7 mt -60.96 -42.79 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.42 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.578 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 24.2 m120 -61.96 -39.79 93.33 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.509 -0.477 . . . . 0.0 111.857 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -69.36 -51.19 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.988 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.495 ' HD1' HD13 ' A' ' 36' ' ' LEU . 81.3 m-85 -68.46 -44.99 73.64 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.7 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.408 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 39.5 t-80 -61.31 -39.7 91.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.063 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 13' ' ' ASN . . . -61.08 -42.3 98.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.732 -177.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.754 ' HB2' HD21 ' A' ' 36' ' ' LEU . 98.3 m-70 -88.1 -26.99 22.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.544 ' OG ' HD21 ' A' ' 28' ' ' LEU . 19.3 m -57.96 -37.0 73.37 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.772 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.53 -30.09 67.86 Favored Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.997 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -56.65 -38.1 71.7 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.202 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -135.43 142.75 45.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.325 0.583 . . . . 0.0 111.875 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.38 -142.93 42.18 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 115.428 -0.806 . . . . 0.0 113.211 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -83.92 132.72 34.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.417 -0.891 . . . . 0.0 111.969 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -56.0 -38.16 70.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.646 0.736 . . . . 0.0 110.291 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.583 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 3.2 m-30 -70.9 -21.23 62.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.368 -1.287 . . . . 0.0 112.302 -176.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -112.3 140.05 47.34 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.544 HD21 ' OG ' ' A' ' 19' ' ' SER . 78.3 mt -102.1 133.78 46.4 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 174.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -101.51 163.19 12.39 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.552 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 76.6 tttt -51.6 -39.77 58.58 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.227 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -62.47 -52.09 64.9 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.015 -0.674 . . . . 0.0 112.338 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.99 -41.12 97.61 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.03 -176.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.27 -41.86 96.72 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.584 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.612 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 2.8 tptp -61.07 -46.84 89.01 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 114.959 -1.018 . . . . 0.0 111.86 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 39' ' ' THR . 77.8 mm-40 -69.47 -38.17 77.6 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.384 -0.526 . . . . 0.0 111.981 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.754 HD21 ' HB2' ' A' ' 18' ' ' HIS . 45.7 mt -64.93 -47.13 78.79 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.059 -0.656 . . . . 0.0 112.188 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.43 ' HB3' HD13 ' A' ' 45' ' ' LEU . 10.8 mp -72.12 -47.92 47.6 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.958 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.612 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 64.5 tt0 -62.85 -43.14 99.6 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -81.12 -44.26 18.19 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.372 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.412 ' N ' ' CG2' ' A' ' 39' ' ' THR . 76.5 mm-40 -71.67 -35.5 70.33 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 118.895 -1.122 . . . . 0.0 111.15 -178.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.8 mt -123.74 62.67 1.06 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.785 0.326 . . . . 0.0 110.493 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.1 p -59.61 -25.46 64.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.627 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.61 -70.44 1.33 Allowed Glycine 0 CA--C 1.528 0.889 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.571 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.447 ' CE1' ' HA ' ' A' ' 85' ' ' CYS . 81.8 t80 -57.49 -43.45 84.13 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.519 ' O ' ' C ' ' A' ' 46' ' ' ASP . 77.9 mt -92.41 -1.46 56.99 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.519 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.2 t0 -26.21 102.7 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.442 0.639 . . . . 0.0 111.199 -178.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.44 -22.38 66.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.914 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -55.26 -35.67 65.25 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.528 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.509 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 52.3 mtmt -59.19 -37.52 77.62 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.456 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.555 ' CB ' ' HB2' ' A' ' 53' ' ' ALA . 93.7 m-20 -142.16 100.86 3.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.935 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.4 t -62.48 -41.15 90.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 48.9 p30 -88.87 4.75 46.74 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HB2' ' CB ' ' A' ' 50' ' ' ASP . . . -63.67 -31.23 72.33 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.209 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.21 -43.54 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.793 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.552 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 88.1 m-20 -61.33 -43.13 99.39 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.831 -0.748 . . . . 0.0 110.36 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -62.42 -40.18 95.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.739 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 53' ' ' ALA . 69.4 t -66.49 -46.77 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.306 -0.558 . . . . 0.0 112.322 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.519 ' SD ' ' C ' ' A' ' 58' ' ' MET . 2.4 ppp? -66.0 -37.48 86.04 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.622 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 58' ' ' MET . 48.8 tttm -57.77 -41.53 82.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.386 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.69 -37.17 85.73 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.943 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.696 HD21 HD22 ' A' ' 77' ' ' LEU . 90.0 mt -66.97 -38.82 86.77 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.565 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 46.7 t0 -77.8 81.02 4.24 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 118.821 -1.152 . . . . 0.0 111.296 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.77 -38.64 86.99 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.241 0.543 . . . . 0.0 111.661 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -58.92 -36.49 74.83 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.181 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.11 2.11 71.69 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 107.988 -2.045 . . . . 0.0 107.988 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.663 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 53.4 p30 -62.34 -32.43 73.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 113.938 -1.131 . . . . 0.0 112.072 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.663 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 99.05 -5.83 59.59 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.409 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 84.4 tt0 -111.22 141.02 45.29 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.9 t -105.85 132.38 53.01 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-O 121.253 0.549 . . . . 0.0 110.658 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.5 t0 -104.32 147.26 27.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.511 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.567 ' CE2' ' CG2' ' A' ' 75' ' ' VAL . 87.6 t80 -52.46 -39.0 60.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.882 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.556 ' HG2' HG11 ' B' ' 83' ' ' VAL . 94.3 mt-30 -59.18 -39.61 83.09 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.322 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.16 -41.5 85.92 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.619 0.723 . . . . 0.0 109.888 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.416 ' CE2' ' CZ ' ' A' ' 15' ' ' PHE . 89.8 t80 -64.94 -40.16 94.61 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.968 HG12 ' HB1' ' B' ' 79' ' ' ALA . 75.9 t -58.4 -40.61 78.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.123 -0.631 . . . . 0.0 112.104 -176.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.59 -43.95 95.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 118.945 -1.102 . . . . 0.0 110.455 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.696 HD22 HD21 ' A' ' 61' ' ' LEU . 26.9 tp -66.07 -41.06 91.26 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 75' ' ' VAL . 2.8 p -59.04 -33.11 49.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 119.911 -0.715 . . . . 0.0 110.696 -177.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.948 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -59.6 -41.7 90.9 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.144 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.1 -40.05 78.62 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.877 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.15 -39.03 93.14 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.483 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.2 t -60.13 -41.72 93.3 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.765 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.563 HG11 ' HG2' ' B' ' 72' ' ' GLN . 92.6 t -61.86 -41.22 89.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.12 82.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.521 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.6 OUTLIER -60.59 -33.56 72.91 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.578 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 19.3 t-20 -54.89 -37.18 65.98 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.101 0.477 . . . . 0.0 110.62 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -53.11 -38.47 62.64 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -59.16 -42.62 91.16 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -58.54 -44.9 89.76 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.61 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.578 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 88.6 m95 -58.21 -34.12 70.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.708 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.82 -32.16 71.55 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.688 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -55.13 -34.35 63.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.576 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.554 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.73 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.7 t -118.49 136.43 53.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.566 0.222 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.69 -38.32 90.61 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.474 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.9 -40.07 94.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.939 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.56 -40.65 95.47 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 37.0 m -64.78 -38.0 89.5 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.673 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.21 72.23 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.633 -178.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.3 mtm -59.47 -41.01 88.76 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.407 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.45 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 97.9 mt-10 -67.04 -37.48 84.16 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.895 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.7 m -62.14 -45.08 95.04 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.62 -47.62 85.42 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 119.579 -0.848 . . . . 0.0 110.739 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' B' ' 16' ' ' HIS . 86.5 mt -60.86 -42.82 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.492 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.568 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 24.2 m120 -61.88 -39.9 93.52 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.541 -0.463 . . . . 0.0 111.841 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 87.8 t -69.34 -51.19 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 120.045 -0.662 . . . . 0.0 111.997 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.498 ' HD1' HD13 ' B' ' 36' ' ' LEU . 81.3 m-85 -68.45 -44.95 73.77 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 119.611 -0.835 . . . . 0.0 111.675 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.409 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 39.3 t-80 -61.22 -39.83 91.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.07 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' B' ' 13' ' ' ASN . . . -61.01 -42.28 98.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.803 -177.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.753 ' HB2' HD21 ' B' ' 36' ' ' LEU . 98.3 m-70 -88.11 -27.02 22.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.545 ' OG ' HD21 ' B' ' 28' ' ' LEU . 19.5 m -58.0 -37.02 73.5 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.745 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.47 -30.09 67.67 Favored Glycine 0 CA--C 1.524 0.616 0 CA-C-N 115.61 -0.723 . . . . 0.0 113.011 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -56.65 -38.12 71.73 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.236 -178.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -135.37 142.76 45.77 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.866 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.44 -142.92 42.35 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 115.457 -0.792 . . . . 0.0 113.149 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -84.01 132.68 34.72 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.365 -0.917 . . . . 0.0 111.891 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -55.92 -38.2 69.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.664 0.745 . . . . 0.0 110.311 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 3.2 m-30 -70.93 -21.22 62.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.32 -1.309 . . . . 0.0 112.263 -176.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -112.36 140.05 47.41 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.545 HD21 ' OG ' ' B' ' 19' ' ' SER . 77.9 mt -102.06 133.77 46.36 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 174.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -101.5 163.22 12.38 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.581 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 76.7 tttt -51.6 -39.81 58.67 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 118.987 -1.085 . . . . 0.0 109.235 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -62.43 -52.11 64.86 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 119.968 -0.693 . . . . 0.0 112.371 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.95 -41.14 97.67 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.039 -176.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.23 -41.92 96.79 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.56 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.591 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 2.9 tptp -61.04 -46.78 89.31 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.877 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.506 ' O ' HG22 ' B' ' 39' ' ' THR . 77.8 mm-40 -69.5 -38.15 77.49 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.037 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.753 HD21 ' HB2' ' B' ' 18' ' ' HIS . 45.7 mt -64.9 -47.21 78.6 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.228 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.434 ' HB3' HD13 ' B' ' 45' ' ' LEU . 10.8 mp -72.02 -48.02 47.6 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.806 -0.758 . . . . 0.0 111.947 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.591 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.5 tt0 -62.85 -43.08 99.75 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.506 HG22 ' O ' ' B' ' 35' ' ' GLU . 0.7 OUTLIER -81.15 -44.11 18.37 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.379 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.426 ' N ' ' CG2' ' B' ' 39' ' ' THR . 76.4 mm-40 -71.78 -35.51 70.06 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 118.888 -1.125 . . . . 0.0 111.133 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -123.69 62.78 1.05 Allowed 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.718 0.295 . . . . 0.0 110.482 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -59.7 -25.42 64.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.637 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.68 -70.45 1.33 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.496 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' B' ' 85' ' ' CYS . 81.9 t80 -57.4 -43.6 83.82 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' B' ' 46' ' ' ASP . 77.8 mt -92.41 -1.32 57.09 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.529 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.2 t0 -26.26 102.69 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.431 0.634 . . . . 0.0 111.194 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.49 -22.34 66.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.885 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -55.31 -35.53 65.23 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.552 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.522 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 52.4 mtmt -59.32 -37.5 77.95 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.386 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.559 ' CB ' ' HB2' ' B' ' 53' ' ' ALA . 93.7 m-20 -142.18 100.84 3.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.973 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.54 -41.07 90.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.441 ' OD1' ' C ' ' B' ' 52' ' ' ASP . 49.0 p30 -88.91 4.82 46.64 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.559 ' HB2' ' CB ' ' B' ' 50' ' ' ASP . . . -63.64 -31.36 72.5 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.256 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.05 -43.67 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.806 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.581 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 87.8 m-20 -61.25 -43.15 99.35 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.415 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -62.35 -40.27 95.86 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.737 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 53' ' ' ALA . 69.5 t -66.44 -46.82 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 120.347 -0.541 . . . . 0.0 112.342 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.519 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.4 ppp? -66.03 -37.44 85.88 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.632 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -57.76 -41.6 82.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.362 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.69 -37.17 85.71 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.895 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.69 HD21 HD22 ' B' ' 77' ' ' LEU . 89.9 mt -66.91 -38.92 87.12 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.575 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 46.7 t0 -77.72 80.96 4.17 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 118.846 -1.142 . . . . 0.0 111.281 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.73 -38.6 86.99 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.32 0.581 . . . . 0.0 111.74 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -59.02 -36.46 74.99 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.25 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.14 2.12 71.59 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.663 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.4 p30 -62.31 -32.59 73.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.026 -1.087 . . . . 0.0 112.013 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.663 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 99.18 -5.88 59.42 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.47 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 84.3 tt0 -111.22 140.99 45.32 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -105.84 132.32 53.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 CA-C-O 121.35 0.595 . . . . 0.0 110.628 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.5 t0 -104.3 147.34 27.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.476 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.561 ' CE2' ' CG2' ' B' ' 75' ' ' VAL . 87.8 t80 -52.48 -39.06 60.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.894 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.563 ' HG2' HG11 ' A' ' 83' ' ' VAL . 94.3 mt-30 -59.11 -39.58 82.73 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.309 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.2 -41.53 85.66 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.561 0.696 . . . . 0.0 109.816 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.41 ' CE2' ' CZ ' ' B' ' 15' ' ' PHE . 89.9 t80 -64.89 -40.25 94.8 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.948 HG12 ' HB1' ' A' ' 79' ' ' ALA . 75.8 t -58.37 -40.65 78.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.239 -0.584 . . . . 0.0 112.062 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.57 -43.95 95.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 118.933 -1.107 . . . . 0.0 110.516 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.69 HD22 HD21 ' B' ' 61' ' ' LEU . 26.9 tp -66.16 -40.95 90.93 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.581 HG12 ' O ' ' B' ' 75' ' ' VAL . 2.8 p -59.11 -33.1 49.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.695 -177.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.968 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -59.62 -41.76 91.15 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.11 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.07 78.82 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 119.781 -0.768 . . . . 0.0 110.899 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.21 -38.99 93.03 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.504 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.2 t -60.12 -41.64 93.08 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.8 -179.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.556 HG11 ' HG2' ' A' ' 72' ' ' GLN . 91.5 t -61.9 -41.27 90.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.02 82.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.518 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.6 OUTLIER -60.65 -33.51 72.91 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.054 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.577 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 19.3 t-20 -54.87 -37.23 65.99 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.159 0.504 . . . . 0.0 110.639 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -53.09 -38.41 62.54 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -59.21 -42.64 91.45 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -58.47 -44.85 89.46 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.646 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.577 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 88.5 m95 -58.37 -34.02 70.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.694 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.75 -32.34 71.64 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.634 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -55.03 -34.4 63.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.56 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.577 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -62.83 154.35 30.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 110.57 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.33 -35.39 78.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.684 HD13 ' OE1' ' B' ' 40' ' ' GLU . 8.4 tt -59.99 -40.1 88.01 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.031 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.5 -40.18 90.41 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 119.441 -0.904 . . . . 0.0 108.598 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.2 m -64.8 -37.99 89.47 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.543 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.95 98.87 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.684 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.6 mtm -57.22 -40.51 77.68 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 118.013 -1.475 . . . . 0.0 108.199 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 98.0 mt-10 -67.04 -35.96 81.03 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.922 -1.036 . . . . 0.0 110.957 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.411 ' O ' HG13 ' A' ' 14' ' ' VAL . 45.9 m -62.16 -44.04 97.49 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.964 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' O ' HG22 ' A' ' 14' ' ' VAL . 82.6 mt -60.9 -45.36 94.91 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.812 0.815 . . . . 0.0 111.113 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -68.26 -40.67 82.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.822 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 25.5 m-20 -60.16 -41.39 92.71 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.054 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 11' ' ' LEU . 25.5 m -74.16 -35.29 40.46 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.105 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.442 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.501 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 66.3 t80 -59.58 -48.36 81.98 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.316 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -61.42 -43.84 98.16 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.98 97.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.477 ' CB ' HD21 ' A' ' 36' ' ' LEU . 96.8 m-70 -90.53 -32.01 16.5 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.4 p -62.89 -31.29 72.31 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.932 -0.707 . . . . 0.0 111.621 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.16 -28.68 67.03 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 115.879 -0.6 . . . . 0.0 113.894 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.469 ' NZ ' ' O ' ' A' ' 18' ' ' HIS . 32.3 mtmm -57.02 -40.88 77.53 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -176.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.589 ' N ' ' OE2' ' A' ' 32' ' ' GLU . 94.5 mt-10 -141.71 150.65 42.11 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 119.894 -0.722 . . . . 0.0 112.67 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.38 -153.0 51.2 Favored Glycine 0 C--N 1.329 0.153 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -71.92 137.65 47.53 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -59.79 -39.4 84.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.862 0.839 . . . . 0.0 110.067 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.546 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 3.2 m-30 -71.34 -30.14 65.83 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.158 -1.383 . . . . 0.0 113.407 -175.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -120.73 154.19 35.96 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.206 0.527 . . . . 0.0 111.894 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.61 144.56 25.64 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.1 t -98.14 158.01 15.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.018 -1.446 . . . . 0.0 107.428 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -52.95 -42.01 65.06 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.208 -0.997 . . . . 0.0 110.67 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -61.02 -48.57 81.18 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.505 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.589 ' OE2' ' N ' ' A' ' 22' ' ' GLU . 97.2 mt-10 -62.37 -39.85 94.53 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.183 -176.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.83 -41.43 99.32 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.503 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.555 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 2.7 tptp -60.85 -45.53 94.16 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.724 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -66.97 -38.25 85.72 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 120.02 -0.672 . . . . 0.0 112.081 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.477 HD21 ' CB ' ' A' ' 18' ' ' HIS . 78.5 mt -66.83 -45.92 76.77 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.68 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.7 mt -68.44 -41.98 79.52 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 118.902 -1.119 . . . . 0.0 110.494 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.555 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.2 tt0 -63.4 -42.24 98.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.995 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 3.0 t -84.98 -45.57 12.05 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.164 -0.614 . . . . 0.0 112.386 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.684 ' OE1' HD13 ' B' ' 4' ' ' LEU . 97.0 mt-10 -71.96 -35.6 69.6 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.015 -178.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.6 mt -122.0 46.48 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.85 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -57.52 -25.41 59.81 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.86 -68.15 1.34 Allowed Glycine 0 CA--C 1.531 1.083 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.757 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -57.86 -43.78 86.18 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.524 ' O ' ' C ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -91.34 -2.49 57.34 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.524 ' C ' ' O ' ' A' ' 45' ' ' LEU . 59.9 t0 -25.01 112.37 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.542 0.687 . . . . 0.0 111.25 -177.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -27.31 69.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.02 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -56.3 -36.8 69.06 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.345 -178.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -60.85 -40.12 91.69 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.487 ' CG ' ' H ' ' A' ' 53' ' ' ALA . 66.0 t0 -156.86 95.06 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.104 -1.407 . . . . 0.0 111.455 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.91 -40.48 85.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -60.77 -28.35 68.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.561 -1.2 . . . . 0.0 112.465 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.487 ' H ' ' CG ' ' A' ' 50' ' ' ASP . . . -52.46 -32.01 37.62 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.582 -0.447 . . . . 0.0 112.129 -176.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.434 HG21 ' HD3' ' A' ' 34' ' ' LYS . 55.4 t -57.38 -46.69 85.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.336 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.71 -40.89 96.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.315 0.579 . . . . 0.0 110.867 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -59.59 -41.34 90.05 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.321 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.2 m -76.52 -37.76 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 119.568 -0.853 . . . . 0.0 111.826 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.524 ' SD ' ' C ' ' A' ' 58' ' ' MET . 1.7 ppp? -62.81 -38.82 92.2 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.616 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 58' ' ' MET . 47.3 mtpt -59.68 -38.79 82.5 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.956 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.9 -38.1 89.83 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.433 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.72 HD21 HD22 ' A' ' 77' ' ' LEU . 92.1 mt -67.26 -36.92 82.61 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.03 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.537 ' OD1' HG22 ' A' ' 69' ' ' VAL . 99.7 m-20 -92.91 35.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.448 -0.797 . . . . 0.0 112.887 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -51.03 -31.04 17.1 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 121.474 0.654 . . . . 0.0 109.272 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.556 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 10.7 m120 -52.71 -31.3 36.95 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.859 -178.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.96 4.33 56.74 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 108.152 -1.979 . . . . 0.0 108.152 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.586 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 54.1 p30 -90.13 126.58 35.85 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 122.245 1.022 . . . . 0.0 110.388 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -53.82 -25.3 29.43 Favored Glycine 0 C--N 1.306 -1.127 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.527 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -94.75 145.06 25.13 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.605 0.717 . . . . 0.0 110.781 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.537 HG22 ' OD1' ' A' ' 62' ' ' ASP . 58.3 t -102.54 131.75 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.201 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -83.89 142.61 30.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.418 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.617 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 40.0 t80 -56.05 -41.24 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.358 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -57.76 -41.11 81.28 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.712 -0.795 . . . . 0.0 109.805 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.556 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 98.5 mt-10 -66.75 -40.05 88.14 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.092 0.472 . . . . 0.0 110.7 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.531 ' O ' HG23 ' A' ' 78' ' ' VAL . 88.9 t80 -65.51 -45.6 82.92 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 1.02 HG12 ' HB1' ' B' ' 79' ' ' ALA . 58.3 t -63.56 -42.45 96.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.095 -178.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.469 HG13 HG13 ' B' ' 76' ' ' VAL . 58.6 t -61.11 -44.49 98.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.617 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.72 HD22 HD21 ' A' ' 61' ' ' LEU . 30.0 tp -63.56 -39.46 94.45 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.767 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 74' ' ' TYR . 53.5 t -59.87 -39.07 78.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.994 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 1.009 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -57.84 -40.38 79.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.512 -178.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.66 -41.49 79.22 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.404 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.59 -40.49 95.63 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.561 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.4 t -64.27 -40.34 95.78 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 118.862 -1.135 . . . . 0.0 109.73 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.483 HG22 ' CE2' ' B' ' 71' ' ' PHE . 69.0 t -62.2 -41.89 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.44 -31.44 72.66 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.268 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -53.95 -34.85 60.87 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.166 -179.659 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.42 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 49.8 t-20 -56.17 -37.4 69.5 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.18 0.514 . . . . 0.0 110.467 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -54.13 -35.77 62.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.513 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -58.57 -45.51 88.85 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -62.89 -44.16 96.86 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.06 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.417 ' HE1' ' ND2' ' A' ' 86' ' ' ASN . 87.9 m95 -59.93 -34.33 73.09 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.803 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.43 -33.41 67.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -55.04 -37.4 66.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.672 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.626 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -62.98 154.46 30.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.747 0.308 . . . . 0.0 110.501 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.4 -35.33 78.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.868 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.684 HD13 ' OE1' ' A' ' 40' ' ' GLU . 8.4 tt -60.0 -40.11 88.09 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.022 -178.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.43 -40.22 90.29 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.3 m -64.85 -37.98 89.44 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.545 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.94 98.8 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.677 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.7 mtm -57.27 -40.5 77.85 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 118.038 -1.465 . . . . 0.0 108.158 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 98.1 mt-10 -67.03 -36.05 81.25 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.946 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.415 ' O ' HG13 ' B' ' 14' ' ' VAL . 46.1 m -62.06 -44.08 97.45 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.987 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.437 ' O ' HG22 ' B' ' 14' ' ' VAL . 82.9 mt -60.86 -45.44 94.53 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.802 0.81 . . . . 0.0 111.065 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -68.21 -40.59 82.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.882 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.434 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 25.6 m-20 -60.26 -41.33 93.04 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.977 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.437 HG22 ' O ' ' B' ' 11' ' ' LEU . 25.7 m -74.18 -35.33 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.429 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.497 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 66.4 t80 -59.49 -48.41 81.74 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.331 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -61.39 -43.84 98.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.21 -40.94 97.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -177.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.509 ' HA ' ' HZ2' ' B' ' 21' ' ' LYS . 96.9 m-70 -90.6 -31.96 16.46 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.0 p -62.88 -31.33 72.35 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.636 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.2 -28.66 67.09 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 115.755 -0.657 . . . . 0.0 113.909 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.509 ' HZ2' ' HA ' ' B' ' 18' ' ' HIS . 32.3 mtmm -56.98 -40.8 77.23 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -176.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.578 ' N ' ' OE2' ' B' ' 32' ' ' GLU . 94.5 mt-10 -141.77 150.59 41.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.621 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.43 -153.04 51.23 Favored Glycine 0 C--N 1.33 0.216 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -71.92 137.69 47.57 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -59.84 -39.36 84.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.816 0.817 . . . . 0.0 110.074 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 3.2 m-30 -71.38 -30.13 65.76 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.191 -1.368 . . . . 0.0 113.349 -175.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -120.74 154.13 36.06 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.944 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.5 144.54 25.69 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.0 t -98.22 157.99 15.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.088 -1.414 . . . . 0.0 107.428 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -52.94 -41.98 64.99 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.629 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -61.07 -48.59 80.99 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 119.355 -0.938 . . . . 0.0 111.433 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.578 ' OE2' ' N ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -62.4 -39.89 94.71 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.137 -176.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.81 -41.41 99.28 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.48 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.529 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 2.7 tptp -60.95 -45.45 94.69 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.689 177.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.403 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -67.04 -38.21 85.46 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 119.994 -0.682 . . . . 0.0 112.068 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.464 HD21 ' CB ' ' B' ' 18' ' ' HIS . 78.9 mt -66.78 -45.91 76.97 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.726 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 60.8 mt -68.49 -42.03 79.22 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 118.868 -1.133 . . . . 0.0 110.42 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.529 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.2 tt0 -63.39 -42.18 98.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.18 -0.918 . . . . 0.0 113.012 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 3.0 t -85.05 -45.54 12.01 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.128 -0.629 . . . . 0.0 112.394 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.684 ' OE1' HD13 ' A' ' 4' ' ' LEU . 96.9 mt-10 -72.0 -35.55 69.48 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.024 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 64.5 mt -121.95 46.49 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.869 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -57.61 -25.34 59.95 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.87 -68.1 1.34 Allowed Glycine 0 CA--C 1.531 1.038 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.767 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -57.93 -43.77 86.51 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -91.15 -2.53 57.53 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.089 0.404 . . . . 0.0 112.089 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.528 ' C ' ' O ' ' B' ' 45' ' ' LEU . 59.9 t0 -25.05 112.49 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.523 0.677 . . . . 0.0 111.192 -177.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.91 -27.33 69.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.013 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -56.22 -36.87 68.95 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.29 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -60.76 -40.22 91.71 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.495 ' CG ' ' H ' ' B' ' 53' ' ' ALA . 65.8 t0 -156.81 95.0 1.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.49 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.89 -40.47 85.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -60.81 -28.3 68.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.568 -1.196 . . . . 0.0 112.455 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.495 ' H ' ' CG ' ' B' ' 50' ' ' ASP . . . -52.4 -32.09 37.22 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.566 -0.453 . . . . 0.0 112.168 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.416 HG21 ' HD3' ' B' ' 34' ' ' LYS . 55.7 t -57.34 -46.79 85.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 119.701 -0.8 . . . . 0.0 110.294 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -64.6 -40.91 96.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.249 0.547 . . . . 0.0 110.867 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -59.54 -41.35 89.87 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.364 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 27.3 m -76.58 -37.74 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 119.55 -0.86 . . . . 0.0 111.784 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.518 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.7 ppp? -62.84 -38.86 92.43 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.588 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' B' ' 58' ' ' MET . 47.4 mtpt -59.58 -38.86 82.31 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 119.507 -0.877 . . . . 0.0 110.941 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.86 -38.2 90.17 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.286 -0.565 . . . . 0.0 110.388 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.706 HD21 HD22 ' B' ' 77' ' ' LEU . 92.0 mt -67.12 -37.09 83.27 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.041 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.546 ' OD1' HG22 ' B' ' 69' ' ' VAL . 99.7 m-20 -92.82 34.95 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.003 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -51.01 -31.0 16.77 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 121.52 0.676 . . . . 0.0 109.373 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.56 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 10.7 m120 -52.76 -31.24 37.15 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.834 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.95 4.27 56.77 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 108.163 -1.975 . . . . 0.0 108.163 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.59 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 54.1 p30 -90.03 126.55 35.8 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 122.178 0.99 . . . . 0.0 110.479 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -53.78 -25.36 29.34 Favored Glycine 0 C--N 1.305 -1.177 0 CA-C-N 114.359 -1.291 . . . . 0.0 110.59 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -94.67 145.05 25.11 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.669 0.747 . . . . 0.0 110.799 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.546 HG22 ' OD1' ' B' ' 62' ' ' ASP . 58.4 t -102.53 131.7 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.187 -178.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -83.78 142.62 30.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.481 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.617 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 40.2 t80 -56.03 -41.36 74.85 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.372 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -57.54 -41.24 80.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.902 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.56 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 98.5 mt-10 -66.67 -40.02 88.43 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.116 0.484 . . . . 0.0 110.738 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.531 ' O ' HG23 ' B' ' 78' ' ' VAL . 88.9 t80 -65.55 -45.71 82.32 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 1.009 HG12 ' HB1' ' A' ' 79' ' ' ALA . 58.8 t -63.43 -42.51 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.469 HG13 HG13 ' A' ' 76' ' ' VAL . 58.5 t -61.03 -44.49 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.63 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.706 HD22 HD21 ' B' ' 61' ' ' LEU . 30.2 tp -63.66 -39.49 94.46 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.654 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 74' ' ' TYR . 53.5 t -59.9 -39.03 78.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.05 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 1.02 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -57.81 -40.38 79.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.568 -178.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.64 -41.51 79.33 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.346 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.6 mt -64.67 -40.56 95.63 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.552 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.5 t -64.05 -40.45 96.32 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 118.872 -1.131 . . . . 0.0 109.791 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.481 HG22 ' CE2' ' A' ' 71' ' ' PHE . 69.9 t -62.29 -41.83 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.54 -31.32 72.48 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.242 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.552 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -54.1 -34.83 61.22 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.073 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.428 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 49.7 t-20 -56.16 -37.36 69.44 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.124 0.488 . . . . 0.0 110.435 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -54.11 -35.81 62.55 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.514 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -58.54 -45.49 88.79 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -62.96 -44.2 96.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.98 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.409 ' HE1' ' ND2' ' B' ' 86' ' ' ASN . 88.2 m95 -59.8 -34.32 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.897 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.39 -33.49 67.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.606 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -55.02 -37.33 66.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.729 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.528 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 m -63.12 156.66 24.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.703 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.64 -34.96 76.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.294 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.49 HD22 ' OE1' ' B' ' 40' ' ' GLU . 39.1 tp -59.08 -40.0 83.88 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.519 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.65 -40.72 88.63 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.342 -0.943 . . . . 0.0 108.667 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.1 m -65.83 -37.49 86.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.922 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.64 84.75 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.921 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.9 mtm -58.43 -41.03 84.14 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 118.867 -1.133 . . . . 0.0 109.122 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.78 -35.7 79.14 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.878 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.915 ' O ' HG23 ' A' ' 14' ' ' VAL . 45.7 m -61.92 -43.81 98.07 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.088 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.413 ' CD2' ' CD1' ' B' ' 4' ' ' LEU . 80.5 mt -61.51 -46.6 89.28 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.711 0.767 . . . . 0.0 111.03 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.57 -42.53 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.75 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -59.05 -38.49 79.5 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.915 HG23 ' O ' ' A' ' 10' ' ' THR . 88.9 t -64.73 -43.01 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.152 178.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 89.6 t80 -59.28 -50.12 75.2 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.845 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -59.97 -38.62 83.04 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.401 -0.519 . . . . 0.0 111.717 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.76 -39.9 95.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.745 ' HB2' HD21 ' A' ' 36' ' ' LEU . 96.7 m-70 -101.43 -48.37 4.37 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -178.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.496 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 24.7 m -58.07 -34.93 70.66 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.543 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.67 -30.24 62.27 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.655 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -57.71 -38.61 75.54 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -127.5 150.38 49.7 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.42 0.629 . . . . 0.0 112.217 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.47 -159.21 11.85 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -72.7 141.57 48.22 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.895 0.378 . . . . 0.0 110.336 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.01 -39.81 87.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.771 0.796 . . . . 0.0 110.176 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 3.1 m-30 -74.06 -19.07 60.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.431 -175.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HZ3' ' HG2' ' A' ' 68' ' ' GLU . 20.8 tptm -112.99 140.26 47.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.315 -178.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 29' ' ' SER . 4.9 tt -97.46 130.68 44.54 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -178.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.6 ' N ' HD23 ' A' ' 28' ' ' LEU . 35.8 t -101.76 151.38 22.12 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.983 0.42 . . . . 0.0 111.26 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HZ1' ' HG2' ' A' ' 58' ' ' MET . 69.1 tttt -53.5 -40.46 65.41 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.866 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.02 -48.29 82.12 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 119.153 -1.019 . . . . 0.0 110.167 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.557 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.8 mt-10 -61.79 -37.19 83.44 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.454 -177.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.24 -45.16 94.56 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.0 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.733 ' HZ3' ' HB3' ' A' ' 47' ' ' ALA . 19.5 tptt -60.11 -41.55 92.82 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.311 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.435 ' O ' HG22 ' A' ' 39' ' ' THR . 78.0 mm-40 -69.35 -38.96 78.36 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 114.537 -1.21 . . . . 0.0 112.314 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 18' ' ' HIS . 86.3 mt -66.75 -50.08 63.91 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 119.316 -0.954 . . . . 0.0 112.226 178.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.519 HD21 ' OH ' ' A' ' 74' ' ' TYR . 63.2 mt -68.17 -42.87 79.34 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.439 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.557 ' HB2' ' HZ2' ' A' ' 34' ' ' LYS . 19.5 tt0 -64.17 -43.05 96.32 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -178.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.488 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.6 t -84.15 -46.58 11.77 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.505 -0.878 . . . . 0.0 112.238 -178.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.679 ' C ' HD12 ' A' ' 41' ' ' LEU . 95.7 mt-10 -73.7 -34.09 64.68 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.841 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.679 HD12 ' C ' ' A' ' 40' ' ' GLU . 9.0 mp -122.65 51.85 1.37 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.72 0.295 . . . . 0.0 110.819 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.8 p -58.28 -25.47 61.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.849 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.48 -69.32 1.27 Allowed Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.734 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.98 -43.43 86.54 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.671 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -92.16 -2.98 56.25 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.529 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 56.1 p30 -20.77 76.56 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.722 0.773 . . . . 0.0 112.626 -177.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.733 ' HB3' ' HZ3' ' A' ' 34' ' ' LYS . . . -63.34 -27.21 69.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.185 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -52.48 -37.18 56.59 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.427 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.521 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 71.5 mmtt -58.97 -38.03 78.15 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.521 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.9 m-20 -142.87 89.49 2.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.67 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.29 -39.57 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.047 0.451 . . . . 0.0 110.422 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -56.06 -33.46 65.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.998 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.04 -29.45 65.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.014 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.91 -44.56 82.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.198 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -61.3 -41.22 96.62 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.035 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.97 -39.05 84.33 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.821 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.88 -44.5 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.23 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.528 ' SD ' ' C ' ' A' ' 58' ' ' MET . 1.8 ppp? -65.28 -38.45 90.31 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.891 -0.724 . . . . 0.0 111.765 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.35 -38.02 79.33 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.719 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.89 -38.46 91.16 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.837 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 70.4 mt -68.05 -35.65 78.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.335 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -97.5 34.95 1.72 Allowed 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.272 -0.876 . . . . 0.0 113.104 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -49.76 -30.37 9.38 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.326 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.547 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 11.4 m120 -53.13 -34.39 56.56 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.538 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.41 3.89 62.8 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.697 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.7 p30 -61.44 -36.09 79.4 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 114.814 -0.693 . . . . 0.0 112.171 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.697 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 91.96 -6.7 79.24 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.474 ' HG2' ' HZ3' ' A' ' 27' ' ' LYS . 39.9 tp10 -118.64 149.0 42.13 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.516 ' O ' ' O ' ' A' ' 28' ' ' LEU . 48.4 t -101.12 129.54 51.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.807 0.813 . . . . 0.0 111.992 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -95.32 129.96 42.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.298 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.569 ' CE2' ' CG2' ' A' ' 75' ' ' VAL . 90.6 t80 -52.05 -40.88 61.77 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.358 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -56.57 -41.3 76.68 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.667 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.547 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.6 mt-10 -66.84 -38.71 86.93 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 120.999 0.428 . . . . 0.0 110.592 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.59 ' CE2' HG21 ' A' ' 78' ' ' VAL . 92.2 t80 -63.08 -42.05 99.55 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 1.017 HG12 ' HB1' ' B' ' 79' ' ' ALA . 73.6 t -59.46 -42.35 87.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.315 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.23 -43.1 97.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.294 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -64.28 -40.1 95.28 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 120.932 0.396 . . . . 0.0 110.408 -179.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.59 HG21 ' CE2' ' A' ' 74' ' ' TYR . 54.6 t -61.21 -39.36 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 120.357 -0.537 . . . . 0.0 112.176 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 1.023 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -59.22 -38.92 81.14 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -177.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.12 -43.69 73.9 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.776 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -67.93 -38.93 83.48 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 78' ' ' VAL . 1.4 t -58.93 -43.07 91.11 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 119.12 -1.032 . . . . 0.0 109.951 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.467 ' CG2' HG21 ' B' ' 75' ' ' VAL . 95.6 t -63.96 -41.15 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.13 0.49 . . . . 0.0 109.935 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.9 -31.54 72.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.456 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 70.9 m -54.72 -35.78 64.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.824 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.39 -34.17 66.45 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.771 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.687 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 58.2 t30 -53.23 -39.75 64.02 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 121.603 0.716 . . . . 0.0 109.224 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -66.37 -41.57 89.24 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.512 0.673 . . . . 0.0 109.888 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -59.8 -50.68 72.88 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -176.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.687 ' CD1' ' O ' ' A' ' 87' ' ' ASN . 11.7 p-90 -63.35 -33.6 75.87 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 118.705 -1.198 . . . . 0.0 111.346 -178.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.84 -32.68 73.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.683 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -55.64 -34.52 65.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.625 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.0 m -63.16 156.71 24.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.706 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.73 -34.89 76.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.252 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.481 HD22 ' OE1' ' A' ' 40' ' ' GLU . 39.1 tp -59.24 -39.9 84.23 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.464 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.65 -40.77 88.8 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 119.459 -0.896 . . . . 0.0 108.648 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.2 m -65.81 -37.56 86.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.938 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.56 -46.75 84.49 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.909 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.0 mtm -58.34 -40.98 83.61 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 118.838 -1.145 . . . . 0.0 109.136 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.84 -35.75 79.14 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.872 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.9 ' O ' HG23 ' B' ' 14' ' ' VAL . 45.3 m -61.93 -43.77 98.16 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.082 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.418 ' CD2' ' CD1' ' A' ' 4' ' ' LEU . 80.4 mt -61.55 -46.55 89.43 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 121.701 0.762 . . . . 0.0 111.089 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.59 -42.41 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.851 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -59.18 -38.49 79.92 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 10' ' ' THR . 88.3 t -64.65 -43.07 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.2 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.554 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 89.6 t80 -59.22 -50.13 75.2 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.862 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -59.94 -38.55 82.76 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.793 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.93 95.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.745 ' HB2' HD21 ' B' ' 36' ' ' LEU . 96.7 m-70 -101.36 -48.34 4.4 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -177.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.495 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 24.9 m -58.17 -34.9 70.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.512 -177.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.71 -30.2 62.34 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.699 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -57.72 -38.58 75.54 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.554 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.9 mm-40 -127.56 150.42 49.71 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.408 0.623 . . . . 0.0 112.271 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.43 -159.11 11.81 Favored Glycine 0 CA--C 1.519 0.341 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.75 141.55 48.14 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.91 0.386 . . . . 0.0 110.317 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.14 -39.71 87.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.742 0.782 . . . . 0.0 110.17 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.567 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 3.1 m-30 -74.05 -19.02 60.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.025 -1.443 . . . . 0.0 112.488 -176.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.528 ' HZ3' ' HG2' ' B' ' 68' ' ' GLU . 20.8 tptm -112.99 140.23 47.98 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.343 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.604 HD23 ' N ' ' B' ' 29' ' ' SER . 4.9 tt -97.57 130.59 44.6 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.604 ' N ' HD23 ' B' ' 28' ' ' LEU . 35.9 t -101.65 151.45 22.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.879 0.371 . . . . 0.0 111.308 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.483 ' HZ1' ' HG2' ' B' ' 58' ' ' MET . 69.0 tttt -53.61 -40.37 65.67 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.898 -178.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.06 -48.31 82.07 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.127 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.554 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.8 mt-10 -61.89 -37.14 83.49 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.403 -177.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.12 -45.23 94.41 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.087 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.725 ' HZ3' ' HB3' ' B' ' 47' ' ' ALA . 19.5 tptt -60.0 -41.66 92.59 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.339 178.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.447 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -69.21 -39.06 78.82 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 114.495 -1.23 . . . . 0.0 112.397 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' B' ' 18' ' ' HIS . 86.7 mt -66.72 -50.13 63.79 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.33 -0.948 . . . . 0.0 112.207 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.518 HD21 ' OH ' ' B' ' 74' ' ' TYR . 63.2 mt -68.21 -42.83 79.26 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.257 -0.977 . . . . 0.0 111.36 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.628 ' HB2' ' HZ2' ' B' ' 34' ' ' LYS . 19.6 tt0 -64.31 -42.94 96.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.6 t -84.15 -46.55 11.8 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.597 -0.841 . . . . 0.0 112.263 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.679 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.8 mt-10 -73.7 -34.13 64.7 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.848 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.679 HD12 ' C ' ' B' ' 40' ' ' GLU . 9.0 mp -122.65 51.8 1.38 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.694 0.283 . . . . 0.0 110.816 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -58.21 -25.56 61.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.847 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.39 -69.45 1.27 Allowed Glycine 0 CA--C 1.531 1.068 0 N-CA-C 111.639 -0.584 . . . . 0.0 111.639 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.94 -43.37 86.32 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.689 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.4 OUTLIER -92.15 -3.1 56.1 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.537 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 56.0 p30 -20.61 76.5 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.697 0.76 . . . . 0.0 112.6 -177.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.725 ' HB3' ' HZ3' ' B' ' 34' ' ' LYS . . . -63.32 -27.23 69.18 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.181 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -52.45 -37.26 56.52 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.412 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.516 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 71.5 mmtt -58.81 -38.15 77.97 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.516 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.7 m-20 -142.84 89.54 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.674 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.27 -39.6 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.008 0.433 . . . . 0.0 110.448 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -56.13 -33.39 65.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.036 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.96 -29.59 65.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.036 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.75 -44.65 82.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.226 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.33 -41.16 96.58 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.024 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.98 -39.06 84.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.908 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.5 t -66.88 -44.58 88.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.107 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.541 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -65.25 -38.51 90.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.706 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.3 -38.03 79.21 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 119.766 -0.774 . . . . 0.0 111.718 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.8 -38.51 91.36 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.882 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.482 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 70.3 mt -67.95 -35.73 78.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.448 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -97.51 35.04 1.71 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.182 -0.917 . . . . 0.0 113.06 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -49.75 -30.43 9.47 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.312 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.55 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 11.5 m120 -53.09 -34.44 56.62 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.519 -178.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.37 4.03 62.79 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 108.705 -1.758 . . . . 0.0 108.705 -177.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.692 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.9 p30 -61.49 -36.02 79.31 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 114.782 -0.709 . . . . 0.0 112.185 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.692 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 92.0 -6.77 79.15 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.528 ' HG2' ' HZ3' ' B' ' 27' ' ' LYS . 39.9 tp10 -118.66 148.89 42.26 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.521 ' O ' ' O ' ' B' ' 28' ' ' LEU . 48.1 t -101.01 129.55 51.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.828 0.823 . . . . 0.0 112.017 -178.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -95.36 130.02 42.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.33 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.573 ' CE2' ' CG2' ' B' ' 75' ' ' VAL . 90.7 t80 -52.13 -40.81 61.89 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.019 -0.672 . . . . 0.0 111.388 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -56.51 -41.28 76.45 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.463 -0.895 . . . . 0.0 109.666 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.55 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.7 mt-10 -66.91 -38.72 86.75 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 178.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.59 ' CE2' HG21 ' B' ' 78' ' ' VAL . 92.3 t80 -63.09 -42.07 99.53 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 1.023 HG12 ' HB1' ' A' ' 79' ' ' ALA . 73.5 t -59.51 -42.23 87.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.304 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 73.6 t -64.22 -43.15 97.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.381 -0.527 . . . . 0.0 111.302 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.567 HD13 ' O ' ' B' ' 77' ' ' LEU . 0.2 OUTLIER -64.27 -40.1 95.28 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.983 0.421 . . . . 0.0 110.394 -178.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.59 HG21 ' CE2' ' B' ' 74' ' ' TYR . 54.8 t -61.19 -39.41 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.195 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 1.017 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -59.16 -38.89 80.81 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.744 -0.383 . . . . 0.0 112.027 -177.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.07 -43.72 74.02 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.829 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.544 ' N ' ' CD2' ' B' ' 81' ' ' LEU . 0.6 OUTLIER -67.92 -38.93 83.49 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -178.873 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.474 HG22 ' O ' ' B' ' 78' ' ' VAL . 1.4 t -58.95 -43.1 91.22 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 119.206 -0.998 . . . . 0.0 109.877 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' A' ' 75' ' ' VAL . 95.8 t -63.99 -41.14 91.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.166 0.507 . . . . 0.0 109.928 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -31.64 72.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.358 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 70.9 m -54.64 -35.82 63.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.864 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.37 -34.17 66.4 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.743 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.682 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 57.9 t30 -53.32 -39.73 64.27 Favored 'General case' 0 C--O 1.226 -0.169 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -66.35 -41.63 89.27 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.462 0.649 . . . . 0.0 109.84 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -59.81 -50.66 72.94 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -176.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.682 ' CD1' ' O ' ' B' ' 87' ' ' ASN . 11.6 p-90 -63.34 -33.57 75.83 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 118.692 -1.203 . . . . 0.0 111.411 -178.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.86 -32.7 73.06 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.712 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -55.56 -34.62 64.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.565 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.507 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 p -80.96 7.59 10.33 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-O 121.957 0.884 . . . . 0.0 110.518 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' A' ' 3' ' ' GLU . 18.9 mt-10 -58.57 -32.35 68.84 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 113.804 -1.544 . . . . 0.0 111.268 -177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.443 HD23 HD13 ' B' ' 41' ' ' LEU . 42.7 tp -57.29 -41.72 80.35 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.437 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.503 ' OE2' ' O ' ' B' ' 40' ' ' GLU . 97.4 mt-10 -63.93 -39.27 93.77 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 119.626 -0.829 . . . . 0.0 109.598 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 m -64.74 -39.52 93.78 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.305 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.28 -48.16 71.31 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.811 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.442 ' SD ' HD21 ' B' ' 41' ' ' LEU . 47.1 mtm -57.68 -42.45 83.66 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 118.32 -1.352 . . . . 0.0 108.985 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.5 -38.42 87.19 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.131 -177.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.5 m -61.58 -43.0 99.66 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.8 -46.15 88.26 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 119.697 -0.801 . . . . 0.0 110.165 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.448 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 77.3 mt -64.01 -40.69 89.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.389 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -60.25 -40.34 89.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.243 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.584 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 33.9 m -78.96 -47.3 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 119.414 -0.914 . . . . 0.0 112.659 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.434 ' N ' HG23 ' A' ' 14' ' ' VAL . 65.1 m-85 -65.59 -38.71 90.27 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 119.438 -0.905 . . . . 0.0 111.153 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.448 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 37.6 t-80 -59.88 -44.94 93.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.626 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.67 -51.7 39.1 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.82 ' CG ' HD21 ' A' ' 36' ' ' LEU . 53.1 m80 -61.52 -43.31 99.09 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.0 m -58.41 -35.26 71.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 111.568 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.11 -28.55 58.63 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.539 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -56.5 -40.27 74.69 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.358 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.514 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.1 mt-10 -143.83 138.55 28.75 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.891 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.91 -166.14 54.73 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -72.14 145.94 47.77 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.948 0.404 . . . . 0.0 110.072 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -59.3 -35.55 73.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.737 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -88.17 -4.55 58.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.133 -177.437 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.618 ' HZ1' ' CD ' ' A' ' 68' ' ' GLU . 19.9 tptm -114.61 131.25 56.76 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.374 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.512 ' O ' ' O ' ' A' ' 69' ' ' VAL . 25.4 mt -99.3 135.13 41.16 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.519 0.676 . . . . 0.0 111.637 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.9 p -101.85 160.91 14.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.464 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.39 -39.24 69.9 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.446 -0.901 . . . . 0.0 110.255 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -62.37 -53.2 58.4 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.754 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.0 mt-10 -63.82 -41.03 97.95 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.713 -176.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.554 HD21 ' CD1' ' A' ' 61' ' ' LEU . 55.4 tp -63.86 -45.84 87.66 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.829 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.539 ' HZ1' ' CD ' ' A' ' 38' ' ' GLN . 17.7 tptp -60.78 -42.16 96.98 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 121.845 0.831 . . . . 0.0 110.97 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 39' ' ' THR . 78.4 mm-40 -70.06 -38.16 75.7 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 114.672 -1.149 . . . . 0.0 112.289 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.82 HD21 ' CG ' ' A' ' 18' ' ' HIS . 65.2 mt -68.19 -45.94 72.04 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.656 -0.818 . . . . 0.0 112.204 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.432 HD21 ' OH ' ' A' ' 74' ' ' TYR . 71.7 mt -69.62 -44.98 69.56 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.492 -0.883 . . . . 0.0 110.639 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.539 ' CD ' ' HZ1' ' A' ' 34' ' ' LYS . 20.0 tt0 -64.69 -41.9 95.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.903 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.3 t -81.84 -47.17 13.15 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.936 -0.706 . . . . 0.0 112.402 -178.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.746 ' C ' HD12 ' A' ' 41' ' ' LEU . 75.9 mm-40 -72.91 -34.68 66.79 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 119.603 -0.839 . . . . 0.0 111.297 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.746 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.9 mp -123.98 58.06 1.19 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.752 0.311 . . . . 0.0 110.529 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.8 m -55.16 -32.77 62.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.639 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.4 -68.36 1.4 Allowed Glycine 0 CA--C 1.53 1.01 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.272 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -58.28 -43.44 87.98 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 47' ' ' ALA . 1.5 mm? -91.35 -3.63 56.57 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.4 t0 -22.58 75.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.672 0.607 . . . . 0.0 112.435 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.697 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -68.79 -20.42 64.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.061 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -55.43 -35.16 65.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.686 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 52.2 mtmt -58.49 -35.66 72.56 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.056 -0.658 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.5 m-20 -140.01 94.12 2.72 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.1 t -59.49 -44.65 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.188 0.518 . . . . 0.0 111.402 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.25 -33.73 71.38 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.49 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.23 -28.65 65.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.944 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.58 -44.8 81.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.205 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 58' ' ' MET . 90.0 m-20 -62.26 -40.96 97.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.374 0.607 . . . . 0.0 110.245 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -59.46 -39.49 83.84 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.618 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.4 t -67.59 -45.24 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.96 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.564 ' SD ' ' C ' ' A' ' 58' ' ' MET . 2.1 ppp? -62.68 -37.69 87.44 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.838 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -57.0 -38.3 72.88 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 118.368 -1.333 . . . . 0.0 108.978 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -65.99 -36.38 83.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.044 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.746 HD23 HD12 ' A' ' 77' ' ' LEU . 75.4 mt -66.48 -37.74 85.76 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.24 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.501 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 38.6 t0 -84.49 100.06 11.11 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.173 -1.011 . . . . 0.0 112.657 -178.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -69.58 -39.69 77.17 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.504 0.668 . . . . 0.0 110.776 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -59.78 -36.73 77.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.634 -1.166 . . . . 0.0 112.321 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.0 3.99 69.61 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.642 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.7 p30 -62.35 -31.45 72.08 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 114.312 -0.944 . . . . 0.0 112.172 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.642 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 100.45 -4.74 56.9 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.618 ' CD ' ' HZ1' ' A' ' 27' ' ' LYS . 80.6 tt0 -116.84 143.35 45.79 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.512 ' O ' ' O ' ' A' ' 28' ' ' LEU . 53.2 t -106.33 134.58 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.5 0.667 . . . . 0.0 112.339 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.2 t0 -105.82 151.95 23.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.408 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 81.4 t80 -53.17 -41.46 65.23 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.048 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.529 ' O ' HG22 ' A' ' 75' ' ' VAL . 63.2 tt0 -58.14 -41.55 83.93 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.225 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.48 -40.24 81.05 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.473 0.654 . . . . 0.0 110.984 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.432 ' OH ' HD21 ' A' ' 37' ' ' LEU . 90.4 t80 -62.74 -40.56 97.6 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 72' ' ' GLN . 33.5 m -64.3 -32.77 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.95 -50.46 77.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 118.746 -1.182 . . . . 0.0 111.883 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.746 HD12 HD23 ' A' ' 61' ' ' LEU . 50.9 mt -76.11 -35.66 59.21 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 p -55.49 -34.83 35.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 119.325 -0.95 . . . . 0.0 110.333 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.432 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.08 -37.89 81.25 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.57 -40.55 76.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.509 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.87 -39.48 94.57 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.543 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.556 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -61.35 -41.62 97.35 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 119.26 -0.976 . . . . 0.0 109.686 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.2 t -62.37 -41.59 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.27 -30.31 71.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.059 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -54.89 -36.04 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.177 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.448 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 41.6 m-20 -57.13 -34.65 68.61 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.457 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -53.27 -35.89 60.56 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -59.17 -43.43 92.15 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.92 -46.2 90.12 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.658 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -59.44 -34.61 72.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.076 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.0 -33.44 68.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.555 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.79 137.0 42.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.539 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.592 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.502 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.526 0.726 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.8 p -80.97 7.66 10.19 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 122.056 0.931 . . . . 0.0 110.606 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -58.55 -32.39 68.86 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.269 -177.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.438 HD23 HD13 ' A' ' 41' ' ' LEU . 42.7 tp -57.31 -41.68 80.36 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.49 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' A' ' 40' ' ' GLU . 97.4 mt-10 -63.98 -39.19 93.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.667 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' B' ' 10' ' ' THR . 45.9 m -64.75 -39.56 93.83 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.394 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.3 71.2 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.743 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.45 ' SD ' HD21 ' A' ' 41' ' ' LEU . 47.2 mtm -57.63 -42.49 83.48 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 118.328 -1.349 . . . . 0.0 108.996 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.44 -38.46 87.46 Favored 'General case' 0 N--CA 1.436 -1.125 0 CA-C-N 113.792 -1.549 . . . . 0.0 110.186 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 6' ' ' THR . 45.9 m -61.51 -42.98 99.62 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.212 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.0 mt -58.87 -46.15 88.47 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.107 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' B' ' 16' ' ' HIS . 77.2 mt -64.05 -40.6 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.471 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -60.35 -40.33 90.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.192 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.59 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 33.8 m -78.99 -47.2 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.653 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.446 ' N ' HG23 ' B' ' 14' ' ' VAL . 65.3 m-85 -65.67 -38.74 90.14 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 119.506 -0.878 . . . . 0.0 111.087 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.446 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 37.5 t-80 -59.99 -44.72 94.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.568 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.85 -51.62 38.56 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.818 ' CG ' HD21 ' B' ' 36' ' ' LEU . 53.0 m80 -61.7 -43.29 99.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.0 m -58.34 -35.34 71.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.856 0.36 . . . . 0.0 111.576 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.0 -28.55 58.32 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.65 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -56.52 -40.3 74.82 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.376 -178.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.504 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.1 mt-10 -143.81 138.5 28.76 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.916 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.89 -166.13 54.72 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -72.09 145.91 47.87 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.906 0.384 . . . . 0.0 110.042 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -59.29 -35.49 73.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.757 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.555 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 1.0 OUTLIER -88.23 -4.54 58.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.061 -177.348 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.621 ' HZ1' ' CD ' ' B' ' 68' ' ' GLU . 19.9 tptm -114.65 131.25 56.79 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.346 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.514 ' O ' ' O ' ' B' ' 69' ' ' VAL . 25.7 mt -99.26 135.05 41.23 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.481 0.658 . . . . 0.0 111.67 178.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.6 p -101.69 160.93 14.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.603 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.4 -39.31 70.02 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.531 -0.868 . . . . 0.0 110.197 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -62.38 -53.18 58.76 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.73 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.504 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.0 mt-10 -63.8 -41.11 97.97 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 119.352 -0.939 . . . . 0.0 110.608 -176.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.554 HD21 ' CD1' ' B' ' 61' ' ' LEU . 55.6 tp -63.95 -45.72 87.89 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.8 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.484 ' NZ ' ' CD ' ' B' ' 38' ' ' GLN . 17.8 tptp -60.86 -42.05 97.09 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 121.877 0.846 . . . . 0.0 111.035 178.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.415 ' O ' HG22 ' B' ' 39' ' ' THR . 78.3 mm-40 -70.0 -38.23 75.92 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 114.696 -1.138 . . . . 0.0 112.349 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.818 HD21 ' CG ' ' B' ' 18' ' ' HIS . 65.6 mt -68.25 -45.85 72.07 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.605 -0.838 . . . . 0.0 112.244 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.432 HD21 ' OH ' ' B' ' 74' ' ' TYR . 71.9 mt -69.59 -45.1 69.4 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.653 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.484 ' CD ' ' NZ ' ' B' ' 34' ' ' LYS . 20.0 tt0 -64.58 -41.92 95.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.969 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.3 t -81.85 -47.05 13.28 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.857 -0.737 . . . . 0.0 112.487 -178.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.744 ' C ' HD12 ' B' ' 41' ' ' LEU . 75.9 mm-40 -72.95 -34.72 66.7 Favored 'General case' 0 N--CA 1.46 0.072 0 C-N-CA 119.66 -0.816 . . . . 0.0 111.251 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.744 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.9 mp -123.93 58.01 1.18 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.716 0.293 . . . . 0.0 110.558 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 24.0 m -55.19 -32.79 62.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.638 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.3 -68.35 1.41 Allowed Glycine 0 CA--C 1.53 0.98 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.341 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -58.35 -43.36 88.29 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' B' ' 47' ' ' ALA . 1.5 mm? -91.43 -3.6 56.48 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.3 t0 -22.5 75.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.642 0.589 . . . . 0.0 112.562 -177.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.698 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -68.83 -20.4 64.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.041 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -55.53 -35.03 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.72 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.504 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 52.1 mtmt -58.54 -35.67 72.68 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.004 -0.678 . . . . 0.0 111.183 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 91.4 m-20 -139.94 94.21 2.74 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 40.1 t -59.52 -44.61 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 111.403 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.27 -33.83 71.53 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.422 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.14 -28.68 64.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.933 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.61 -44.81 81.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.117 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.417 ' O ' ' HG3' ' B' ' 58' ' ' MET . 89.9 m-20 -62.26 -40.96 97.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.42 0.629 . . . . 0.0 110.276 178.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -59.41 -39.56 83.84 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.688 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 68.9 t -67.49 -45.24 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.038 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.554 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.0 ppp? -62.61 -37.78 87.59 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.04 -0.664 . . . . 0.0 111.812 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -57.04 -38.36 73.1 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 118.327 -1.349 . . . . 0.0 108.931 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.93 -36.29 82.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.092 177.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.749 HD23 HD12 ' B' ' 77' ' ' LEU . 75.5 mt -66.65 -37.55 85.03 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.296 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.484 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 38.5 t0 -84.51 100.06 11.12 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.122 -1.031 . . . . 0.0 112.669 -178.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -69.53 -39.77 77.28 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.558 0.694 . . . . 0.0 110.762 176.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -59.79 -36.68 77.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.297 -177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.99 3.95 69.69 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 108.282 -1.927 . . . . 0.0 108.282 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.641 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.8 p30 -62.36 -31.46 72.11 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 114.328 -0.936 . . . . 0.0 112.104 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.641 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 100.41 -4.55 56.89 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.621 ' CD ' ' HZ1' ' B' ' 27' ' ' LYS . 80.8 tt0 -116.95 143.4 45.76 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' B' ' 28' ' ' LEU . 52.6 t -106.38 134.47 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.51 0.671 . . . . 0.0 112.302 -178.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.3 t0 -105.79 152.05 23.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.385 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.517 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 81.4 t80 -53.23 -41.51 65.48 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.061 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.529 ' O ' HG22 ' B' ' 75' ' ' VAL . 63.2 tt0 -58.08 -41.57 83.7 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.239 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.47 -40.21 81.1 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.392 0.615 . . . . 0.0 111.05 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.432 ' OH ' HD21 ' B' ' 37' ' ' LEU . 90.3 t80 -62.81 -40.43 97.35 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.529 HG22 ' O ' ' B' ' 72' ' ' GLN . 33.6 m -64.38 -32.73 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.9 -50.47 77.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 118.809 -1.157 . . . . 0.0 111.887 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.749 HD12 HD23 ' B' ' 61' ' ' LEU . 50.7 mt -76.27 -35.58 58.85 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 p -55.26 -35.0 34.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 119.414 -0.915 . . . . 0.0 110.394 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.434 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.07 -37.91 81.3 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.54 -40.56 76.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.454 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.84 -39.48 94.49 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.563 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.0 OUTLIER -61.39 -41.54 97.3 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 119.106 -1.038 . . . . 0.0 109.724 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.44 -41.51 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.28 -30.37 71.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.988 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.563 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -54.88 -35.98 64.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.196 -179.579 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.443 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 41.7 m-20 -57.13 -34.7 68.66 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.429 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -53.31 -35.83 60.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -59.24 -43.47 92.37 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.88 -46.18 90.14 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.677 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -59.44 -34.63 72.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.074 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.06 -33.37 68.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.551 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.86 137.05 42.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.533 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.552 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 m -63.16 156.45 25.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 110.7 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.64 -34.74 76.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.319 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.549 HD23 HD11 ' B' ' 41' ' ' LEU . 31.5 tp -58.81 -39.55 81.52 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.033 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.18 -40.65 86.3 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 119.371 -0.932 . . . . 0.0 108.607 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.9 m -65.96 -37.59 86.38 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.955 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.96 83.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.866 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.5 mtm -58.47 -40.42 82.65 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 118.949 -1.1 . . . . 0.0 109.103 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.426 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 97.8 mt-10 -66.87 -36.55 82.58 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.205 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.871 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.8 m -61.54 -43.3 99.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.106 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.83 -46.19 90.55 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 120.091 -0.643 . . . . 0.0 111.203 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.66 -43.33 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.742 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 22.1 m120 -59.58 -38.19 80.52 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.933 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 10' ' ' THR . 95.8 t -65.05 -43.84 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 90.2 t80 -59.99 -46.55 89.1 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.023 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -60.61 -40.17 90.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.045 0.45 . . . . 0.0 111.002 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.99 98.97 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.776 ' HB2' HD21 ' A' ' 36' ' ' LEU . 96.0 m-70 -103.38 -42.22 5.78 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -177.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -61.31 -32.59 72.45 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.096 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.79 -31.98 80.13 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.512 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -58.05 -36.75 73.23 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -127.61 147.81 50.36 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.696 0.76 . . . . 0.0 112.972 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.3 -141.58 43.72 Favored Glycine 0 CA--C 1.521 0.451 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.813 177.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -83.21 128.95 34.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.479 -0.861 . . . . 0.0 110.422 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -56.31 -38.7 71.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.566 0.698 . . . . 0.0 110.056 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.582 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 3.2 m-30 -74.19 -20.41 60.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.466 -1.243 . . . . 0.0 113.014 -176.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -113.89 144.89 42.28 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.884 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.529 ' O ' ' O ' ' A' ' 69' ' ' VAL . 4.9 tt -102.5 128.55 49.08 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.509 ' N ' HD23 ' A' ' 28' ' ' LEU . 84.2 p -102.16 159.78 15.09 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.971 0.415 . . . . 0.0 111.454 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -54.45 -39.07 67.07 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.577 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -60.19 -49.75 76.41 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.847 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.49 -38.16 88.79 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.261 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.7 tp -62.9 -44.07 97.08 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.48 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.534 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 4.8 tptp -59.39 -41.53 89.59 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.613 178.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 39' ' ' THR . 78.3 mm-40 -71.24 -40.72 70.85 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.702 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.776 HD21 ' HB2' ' A' ' 18' ' ' HIS . 95.0 mt -64.4 -47.93 77.32 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.288 -0.965 . . . . 0.0 111.903 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.592 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 5.5 mp -70.65 -42.78 70.38 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.698 -0.801 . . . . 0.0 112.09 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.534 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.0 tt0 -62.56 -41.73 99.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.4 t -86.61 -45.72 10.77 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.646 -0.822 . . . . 0.0 112.562 -179.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.615 ' C ' HD12 ' A' ' 41' ' ' LEU . 95.8 mt-10 -73.67 -33.53 64.49 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 120.236 -0.586 . . . . 0.0 112.494 -177.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.615 HD12 ' C ' ' A' ' 40' ' ' GLU . 7.2 mp -120.54 43.48 2.73 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.053 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.8 p -57.11 -24.7 55.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.682 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.43 -69.12 1.31 Allowed Glycine 0 CA--C 1.533 1.208 0 C-N-CA 121.193 -0.527 . . . . 0.0 111.907 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.97 -43.13 86.29 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.586 HD13 HD23 ' A' ' 41' ' ' LEU . 8.8 mp -94.03 -0.31 55.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.571 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 53.2 p30 -20.93 120.77 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 122.402 1.096 . . . . 0.0 112.798 -177.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.605 ' O ' HG22 ' A' ' 51' ' ' VAL . . . -66.18 -18.24 65.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.013 -1.448 . . . . 0.0 112.215 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.34 -34.99 62.23 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.109 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -112.43 141.14 46.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 56.28 50.93 12.39 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.222 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 47' ' ' ALA . 61.3 t -53.12 -37.48 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.682 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.44 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 49.4 p30 -78.93 9.57 4.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.785 0.326 . . . . 0.0 110.987 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.499 ' O ' HG13 ' A' ' 57' ' ' VAL . . . -59.95 -30.8 69.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.151 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.53 HG21 ' HD3' ' A' ' 34' ' ' LYS . 78.0 t -57.62 -47.82 84.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.344 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -65.8 -43.62 88.13 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.734 0.778 . . . . 0.0 110.736 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 21.0 mtmm -59.0 -40.79 85.99 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.912 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 53' ' ' ALA . 15.8 m -76.56 -37.09 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.217 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.581 ' SD ' ' C ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -59.56 -39.33 83.68 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.247 179.717 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 58' ' ' MET . 68.5 mttm -58.15 -38.51 76.73 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 118.823 -1.151 . . . . 0.0 109.707 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.44 -37.1 85.89 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.141 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.621 HD21 HD22 ' A' ' 77' ' ' LEU . 59.1 mt -67.03 -35.6 80.24 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.407 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.617 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 48.7 t0 -70.77 82.43 0.63 Allowed 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.985 -177.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.73 -38.18 88.44 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.174 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.462 ' ND2' ' OD2' ' A' ' 66' ' ' ASP . 33.2 p-10 -89.05 1.54 55.4 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.118 -0.633 . . . . 0.0 112.468 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.473 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 74.22 27.17 66.61 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.254 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.617 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 55.2 p30 -104.95 155.18 19.18 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 122.291 1.043 . . . . 0.0 110.048 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.8 -28.28 62.93 Favored Glycine 0 C--N 1.298 -1.577 0 CA-C-N 113.828 -1.533 . . . . 0.0 112.287 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.528 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 42.3 tp10 -95.37 146.62 24.26 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.502 0.668 . . . . 0.0 111.945 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.529 ' O ' ' O ' ' A' ' 28' ' ' LEU . 47.0 t -110.31 135.26 49.92 Favored 'Isoleucine or valine' 0 C--N 1.338 0.093 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.243 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 56.9 t0 -99.06 145.39 27.16 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.431 0.634 . . . . 0.0 111.401 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.559 ' CE2' ' CG2' ' A' ' 75' ' ' VAL . 90.0 t80 -52.24 -39.81 60.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.892 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -56.84 -40.62 76.41 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.859 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.487 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 99.6 mt-10 -65.95 -41.98 90.55 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.448 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.582 ' CZ ' ' CG2' ' A' ' 78' ' ' VAL . 82.2 t80 -64.85 -41.31 95.81 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.988 HG12 ' HB1' ' B' ' 79' ' ' ALA . 78.8 t -58.29 -40.96 79.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.181 -0.608 . . . . 0.0 111.519 -177.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.21 -43.54 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.597 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.621 HD22 HD21 ' A' ' 61' ' ' LEU . 29.3 tp -63.86 -39.83 95.13 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.816 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.595 ' O ' HG22 ' A' ' 82' ' ' THR . 53.1 t -58.71 -40.29 79.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.887 -179.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 1.018 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -60.3 -39.54 87.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.106 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.29 -43.87 66.29 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.366 -0.534 . . . . 0.0 111.704 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.92 -40.03 94.43 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 78' ' ' VAL . 1.6 t -62.2 -42.6 99.44 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.763 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.465 HG23 HG11 ' B' ' 75' ' ' VAL . 89.6 t -63.9 -41.52 92.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.882 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.93 -33.33 75.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.1 m -56.21 -35.83 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.424 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.33 -34.6 66.73 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.312 0.577 . . . . 0.0 110.195 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -53.52 -36.97 62.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.435 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -57.43 -45.54 84.53 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.553 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -63.57 -45.02 92.35 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -60.47 -33.85 73.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.23 -33.32 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -99.79 119.89 38.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.473 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' A' ' 93' ' ' SER . 14.1 p . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.056 -0.974 . . . . 0.0 110.511 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m -63.22 156.43 25.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.636 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.6 -34.8 76.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.264 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.564 HD23 HD11 ' A' ' 41' ' ' LEU . 31.4 tp -58.72 -39.54 81.12 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.107 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.24 -40.58 86.39 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 119.4 -0.92 . . . . 0.0 108.661 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.3 m -65.93 -37.66 86.63 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.967 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.36 -47.02 83.86 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.829 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.3 mtm -58.52 -40.55 83.21 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.032 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.432 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 97.8 mt-10 -66.7 -36.59 82.86 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.306 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.845 ' O ' HG23 ' B' ' 14' ' ' VAL . 44.9 m -61.49 -43.39 98.94 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.052 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.82 -46.18 90.62 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.467 0.651 . . . . 0.0 111.208 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.2 mt -65.68 -43.4 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.68 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 22.1 m120 -59.52 -38.19 80.33 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.892 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.845 HG23 ' O ' ' B' ' 10' ' ' THR . 96.1 t -64.99 -43.84 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 90.1 t80 -60.04 -46.42 89.57 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.112 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -60.69 -40.14 91.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.101 0.476 . . . . 0.0 110.955 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -40.98 99.09 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.759 ' HB2' HD21 ' B' ' 36' ' ' LEU . 96.0 m-70 -103.36 -42.23 5.78 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 -177.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 85.2 p -61.14 -32.66 72.36 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.176 -178.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.79 -32.04 80.34 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.473 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.09 -36.71 73.24 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -127.63 147.75 50.37 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.749 0.785 . . . . 0.0 112.957 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.39 -141.61 43.85 Favored Glycine 0 CA--C 1.521 0.425 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.801 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -83.24 129.02 34.98 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.498 -0.851 . . . . 0.0 110.396 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -56.35 -38.6 71.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.596 0.712 . . . . 0.0 110.123 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.576 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 3.2 m-30 -74.25 -20.38 60.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.395 -1.275 . . . . 0.0 113.017 -176.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -113.98 144.84 42.42 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.524 ' O ' ' O ' ' B' ' 69' ' ' VAL . 4.8 tt -102.44 128.54 49.0 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.515 ' N ' HD23 ' B' ' 28' ' ' LEU . 84.2 p -102.09 159.8 15.06 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.956 0.408 . . . . 0.0 111.477 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -54.58 -38.93 67.29 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.528 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -60.3 -49.76 76.3 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.784 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.55 -38.06 88.58 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.254 -177.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.402 HD11 ' CE1' ' B' ' 74' ' ' TYR . 50.7 tp -62.98 -44.07 97.05 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.464 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.571 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 4.9 tptp -59.35 -41.48 89.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.642 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.433 ' O ' HG22 ' B' ' 39' ' ' THR . 78.3 mm-40 -71.33 -40.62 70.63 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.688 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.759 HD21 ' HB2' ' B' ' 18' ' ' HIS . 95.0 mt -64.41 -47.99 77.09 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 119.325 -0.95 . . . . 0.0 111.923 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.591 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 5.6 mp -70.67 -42.76 70.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.776 -0.77 . . . . 0.0 112.031 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.571 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.0 tt0 -62.6 -41.67 99.12 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.4 t -86.66 -45.63 10.82 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.62 -0.832 . . . . 0.0 112.54 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.603 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.9 mt-10 -73.77 -33.6 64.32 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.4 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.603 HD12 ' C ' ' B' ' 40' ' ' GLU . 7.2 mp -120.46 43.47 2.72 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.155 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -57.09 -24.66 55.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.716 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.36 -69.25 1.31 Allowed Glycine 0 CA--C 1.533 1.182 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.911 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.88 -43.16 85.87 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.595 HD13 HD23 ' B' ' 41' ' ' LEU . 8.9 mp -94.11 -0.26 55.43 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.584 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 53.1 p30 -20.9 120.74 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 122.422 1.106 . . . . 0.0 112.807 -177.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.616 ' O ' HG22 ' B' ' 51' ' ' VAL . . . -66.24 -18.15 65.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 113.953 -1.476 . . . . 0.0 112.22 -179.097 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.42 -34.89 62.22 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.109 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -112.45 141.15 46.53 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 56.32 50.93 12.33 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.182 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.616 HG22 ' O ' ' B' ' 47' ' ' ALA . 61.9 t -53.13 -37.47 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.758 -178.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.454 ' OD1' ' C ' ' B' ' 52' ' ' ASP . 49.4 p30 -78.91 9.5 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.802 0.334 . . . . 0.0 111.003 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.487 ' O ' HG13 ' B' ' 57' ' ' VAL . . . -59.92 -30.7 69.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.168 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.511 HG21 ' HD3' ' B' ' 34' ' ' LYS . 76.1 t -57.81 -47.64 85.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.27 -177.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -65.91 -43.59 87.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.714 0.769 . . . . 0.0 110.669 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.437 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 21.0 mtmm -59.08 -40.77 86.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.867 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.487 HG13 ' O ' ' B' ' 53' ' ' ALA . 15.7 m -76.52 -37.18 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 C-N-CA 119.243 -0.983 . . . . 0.0 111.275 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.579 ' C ' ' SD ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -59.5 -39.29 83.32 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 119.221 -0.992 . . . . 0.0 110.28 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' B' ' 58' ' ' MET . 68.6 mttm -58.28 -38.38 76.86 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 118.797 -1.161 . . . . 0.0 109.72 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.41 -37.19 86.21 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.207 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.617 HD21 HD22 ' B' ' 77' ' ' LEU . 59.0 mt -66.94 -35.62 80.39 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.455 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.627 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 48.6 t0 -70.77 82.46 0.63 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.348 -0.941 . . . . 0.0 111.003 -177.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.81 -38.2 88.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.086 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.498 ' ND2' ' OD2' ' B' ' 66' ' ' ASP . 33.3 p-10 -89.02 1.5 55.43 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.107 -0.637 . . . . 0.0 112.503 -178.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.46 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 74.27 27.15 66.54 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.232 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.627 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 55.2 p30 -105.03 155.21 19.18 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 122.25 1.024 . . . . 0.0 110.066 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.84 -28.26 63.0 Favored Glycine 0 C--N 1.298 -1.568 0 CA-C-N 113.842 -1.526 . . . . 0.0 112.239 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.534 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 42.3 tp10 -95.37 146.6 24.27 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.534 0.683 . . . . 0.0 111.9 -177.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.524 ' O ' ' O ' ' B' ' 28' ' ' LEU . 46.8 t -110.3 135.27 49.85 Favored 'Isoleucine or valine' 0 C--N 1.339 0.131 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.28 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 56.9 t0 -99.07 145.3 27.27 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.476 0.655 . . . . 0.0 111.417 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.559 ' CE2' ' CG2' ' B' ' 75' ' ' VAL . 89.9 t80 -52.02 -39.91 60.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.967 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -56.83 -40.63 76.4 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.857 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.477 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 99.6 mt-10 -65.98 -41.93 90.49 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.258 0.551 . . . . 0.0 110.478 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.58 ' CE2' ' CG2' ' B' ' 78' ' ' VAL . 82.6 t80 -64.86 -41.28 95.8 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 1.018 HG12 ' HB1' ' A' ' 79' ' ' ALA . 78.3 t -58.33 -40.86 79.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.549 -177.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.29 -43.54 96.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.535 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.617 HD22 HD21 ' B' ' 61' ' ' LEU . 29.4 tp -63.89 -39.88 95.23 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.716 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.594 ' O ' HG22 ' B' ' 82' ' ' THR . 53.1 t -58.72 -40.29 79.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.855 -179.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.988 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -60.39 -39.52 87.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.994 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.18 -43.88 66.57 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.744 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 81' ' ' LEU . 75.0 mt -64.93 -40.09 94.51 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.594 HG22 ' O ' ' B' ' 78' ' ' VAL . 1.6 t -62.17 -42.56 99.38 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.226 -0.99 . . . . 0.0 109.808 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.472 HG23 HG11 ' A' ' 75' ' ' VAL . 89.3 t -63.97 -41.47 92.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.922 178.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.29 75.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.135 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 73.2 m -56.29 -35.75 67.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.31 -34.62 66.68 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.338 0.59 . . . . 0.0 110.238 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -53.51 -36.92 62.27 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.493 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -57.46 -45.51 84.67 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.513 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -63.5 -45.14 92.04 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.681 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -60.44 -33.83 73.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.3 -33.41 67.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.608 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -99.76 119.95 38.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.47 ' O ' ' OG ' ' B' ' 93' ' ' SER . 14.2 p . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.418 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 50.7 m -120.0 147.65 44.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.774 0.321 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.48 -38.37 90.87 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.412 ' HB2' HG11 ' B' ' 14' ' ' VAL . 31.1 tp -62.27 -39.5 93.11 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.56 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.82 -40.75 89.49 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 119.693 -0.803 . . . . 0.0 108.903 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -65.03 -37.8 88.81 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.38 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.53 99.35 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.023 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.548 ' SD ' HD21 ' B' ' 41' ' ' LEU . 54.5 mtm -57.34 -40.44 78.01 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 118.348 -1.341 . . . . 0.0 108.542 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 98.0 mt-10 -67.3 -37.14 82.89 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.682 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.6 m -61.24 -42.82 99.28 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.231 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.47 -45.66 92.9 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.787 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.78 -41.42 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.637 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 25.5 m120 -60.03 -39.29 85.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.641 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' THR . 72.3 t -66.99 -42.86 89.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.688 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 76.6 t80 -58.63 -49.14 78.58 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.231 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -62.67 -40.21 96.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.573 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.56 -43.97 97.5 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.636 ' HB2' HD21 ' A' ' 36' ' ' LEU . 34.7 m80 -101.05 -32.13 10.75 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -177.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.714 ' OG ' HD21 ' A' ' 28' ' ' LEU . 14.5 m -62.64 -38.94 92.26 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.559 -0.856 . . . . 0.0 111.942 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.79 -28.89 72.47 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 115.85 1.1 . . . . 0.0 115.85 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 18' ' ' HIS . 51.9 pttt -56.17 -42.78 77.58 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.609 1.205 . . . . 0.0 112.475 -176.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.577 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 97.9 mt-10 -137.15 149.83 47.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.4 0.619 . . . . 0.0 112.064 178.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.87 -157.99 53.64 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.623 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -79.23 133.84 36.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.926 -0.637 . . . . 0.0 109.52 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -56.65 -38.7 72.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.938 0.875 . . . . 0.0 109.606 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.525 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 59.6 m-85 -70.85 -24.12 62.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.976 -1.465 . . . . 0.0 113.537 -178.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -114.27 142.88 45.72 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.714 HD21 ' OG ' ' A' ' 19' ' ' SER . 95.7 mt -100.42 134.55 43.2 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.352 -1.295 . . . . 0.0 108.349 175.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -94.39 161.09 14.38 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -51.52 -39.98 58.73 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.004 -1.078 . . . . 0.0 108.925 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -62.24 -51.11 69.06 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.154 -0.618 . . . . 0.0 112.227 177.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.577 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.7 mt-10 -64.1 -40.44 96.21 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.582 0.706 . . . . 0.0 111.065 -175.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -64.81 -41.18 95.98 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.394 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HD3' HG21 ' A' ' 54' ' ' VAL . 15.8 tptm -60.56 -44.8 95.76 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 114.547 -1.206 . . . . 0.0 111.206 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -68.17 -37.33 80.88 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.774 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 18' ' ' HIS . 93.1 mt -65.85 -46.91 76.77 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 119.054 -1.059 . . . . 0.0 111.676 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.6 mt -69.37 -42.13 75.59 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.836 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.9 -41.66 97.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.492 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.2 t -83.53 -45.63 13.35 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.344 -0.542 . . . . 0.0 112.369 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.627 ' C ' HD12 ' A' ' 41' ' ' LEU . 76.3 mm-40 -71.48 -35.19 70.73 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.087 -178.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.63 HD23 HD13 ' A' ' 45' ' ' LEU . 7.7 mp -124.28 48.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -55.33 -33.05 63.0 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.351 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.05 -62.41 1.67 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.404 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -58.63 -44.88 90.14 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.695 ' O ' ' N ' ' A' ' 47' ' ' ALA . 7.5 mp -96.08 -1.78 48.0 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.531 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 53.9 p30 -18.88 75.74 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 122.013 0.911 . . . . 0.0 112.595 -177.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.695 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -67.85 -15.67 63.73 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 114.264 -1.335 . . . . 0.0 111.816 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -53.98 -35.91 62.34 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.044 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 92.3 mttt -59.59 -36.69 76.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.491 0.662 . . . . 0.0 109.595 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 88.5 m-20 -136.53 89.74 2.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.053 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.15 -43.66 93.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.305 0.574 . . . . 0.0 111.487 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -58.23 -32.8 68.66 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.637 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.1 -30.46 62.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.637 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.43 HG21 ' HD3' ' A' ' 34' ' ' LYS . 53.2 t -57.71 -43.65 84.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.388 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.62 -40.42 91.82 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.617 0.722 . . . . 0.0 109.588 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt -61.01 -39.29 89.15 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.854 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.16 -45.87 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.047 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.473 ' SD ' ' C ' ' A' ' 58' ' ' MET . 1.8 ppp? -64.55 -35.61 81.53 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.998 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 58' ' ' MET . 82.9 tttt -57.73 -41.06 81.06 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.773 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.2 -36.4 84.05 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.352 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.767 HD21 HD22 ' A' ' 77' ' ' LEU . 88.4 mt -66.41 -36.45 82.85 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.536 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 49.9 t0 -79.66 98.38 6.92 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.032 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -77.38 -34.86 54.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.729 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.422 ' ND2' ' HB3' ' A' ' 66' ' ' ASP . 44.3 p-10 -90.7 0.89 57.26 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.445 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 70.61 13.8 71.79 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.896 178.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.647 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.4 p30 -62.06 -33.47 74.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.647 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.51 -6.32 65.31 Favored Glycine 0 C--N 1.321 -0.26 0 N-CA-C 108.995 -1.642 . . . . 0.0 108.995 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 82.3 tt0 -111.68 141.87 44.74 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.7 t -105.14 132.8 51.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.494 0.664 . . . . 0.0 111.172 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.4 t0 -98.64 147.53 24.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.924 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.688 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 52.4 t80 -51.69 -37.71 51.85 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -59.01 -38.36 79.07 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.039 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 98.4 mt-10 -68.71 -42.29 77.89 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.46 0.647 . . . . 0.0 110.512 178.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -66.3 -43.0 87.51 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 71' ' ' PHE . 30.6 m -65.2 -36.7 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -177.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.94 -40.37 78.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 118.616 -1.233 . . . . 0.0 110.722 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.767 HD22 HD21 ' A' ' 61' ' ' LEU . 25.1 tp -67.73 -41.77 82.94 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.39 -0.524 . . . . 0.0 112.368 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.6 p -59.19 -35.37 57.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 C-N-CA 119.713 -0.795 . . . . 0.0 111.369 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.4 -38.12 82.99 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.084 0.469 . . . . 0.0 110.002 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.03 -41.36 74.36 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.864 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.593 HD13 HD21 ' A' ' 45' ' ' LEU . 70.1 mt -63.47 -39.24 93.95 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.2 t -59.35 -40.95 88.05 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.176 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.73 -40.28 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.29 75.07 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.7 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.0 m -54.46 -35.72 63.32 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.199 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -56.37 -34.8 67.0 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.363 0.601 . . . . 0.0 110.272 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -53.05 -38.21 62.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.257 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -57.12 -44.84 83.67 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.351 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -62.46 -41.43 98.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.909 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -57.89 -33.47 68.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.361 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.38 -32.42 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.536 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -54.92 -36.63 65.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.422 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.536 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.41 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 50.8 m -119.91 147.65 44.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.782 0.325 . . . . 0.0 110.524 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.32 -38.52 91.48 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.406 ' HB2' HG11 ' A' ' 14' ' ' VAL . 31.1 tp -62.23 -39.56 93.2 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 120.023 -0.671 . . . . 0.0 111.569 -178.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.74 -40.72 89.06 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.6 -0.84 . . . . 0.0 108.97 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.3 m -65.08 -37.64 88.18 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.467 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.57 99.41 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.047 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.551 ' SD ' HD21 ' A' ' 41' ' ' LEU . 54.2 mtm -57.26 -40.58 77.97 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 118.379 -1.329 . . . . 0.0 108.524 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.451 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 97.9 mt-10 -67.16 -37.23 83.4 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.739 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.679 ' O ' HG23 ' B' ' 14' ' ' VAL . 47.0 m -61.18 -42.85 99.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.228 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.46 -45.6 93.13 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.71 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.7 mt -65.91 -41.35 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.597 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.451 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 25.5 m120 -60.05 -39.35 85.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.626 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.679 HG23 ' O ' ' B' ' 10' ' ' THR . 71.4 t -66.88 -43.02 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 76.6 t80 -58.69 -49.01 79.16 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.25 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -62.64 -40.25 96.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.567 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.01 97.42 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -176.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.643 ' HB2' HD21 ' B' ' 36' ' ' LEU . 34.9 m80 -101.05 -32.22 10.71 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -177.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.705 ' OG ' HD21 ' B' ' 28' ' ' LEU . 14.5 m -62.51 -38.96 91.97 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.99 -178.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.89 -28.86 72.57 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 115.748 1.059 . . . . 0.0 115.748 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' B' ' 18' ' ' HIS . 52.0 pttt -56.23 -42.68 77.66 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 118.622 1.211 . . . . 0.0 112.496 -176.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.571 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 97.9 mt-10 -137.26 149.83 47.4 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.412 0.625 . . . . 0.0 112.067 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.89 -158.02 53.65 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.637 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -79.17 133.83 36.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.87 -0.665 . . . . 0.0 109.523 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -56.69 -38.68 72.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.924 0.869 . . . . 0.0 109.642 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.51 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 59.3 m-85 -70.83 -24.13 62.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.891 -1.504 . . . . 0.0 113.513 -178.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -114.28 142.84 45.77 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.705 HD21 ' OG ' ' B' ' 19' ' ' SER . 95.8 mt -100.49 134.61 43.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.342 -1.299 . . . . 0.0 108.274 175.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.3 t -94.48 160.93 14.43 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -51.43 -39.93 58.36 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 118.905 -1.118 . . . . 0.0 108.973 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -62.16 -51.16 68.95 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.216 -0.593 . . . . 0.0 112.197 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.571 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.7 mt-10 -64.18 -40.42 96.06 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.635 0.731 . . . . 0.0 110.983 -175.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -64.81 -41.15 96.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.402 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.427 ' HD3' HG21 ' B' ' 54' ' ' VAL . 15.9 tptm -60.59 -44.73 95.93 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.291 177.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.412 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -68.22 -37.34 80.73 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.77 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.643 HD21 ' HB2' ' B' ' 18' ' ' HIS . 93.1 mt -65.86 -46.88 76.83 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.685 178.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.401 ' HB3' HD23 ' B' ' 45' ' ' LEU . 75.1 mt -69.38 -42.07 75.66 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.826 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.92 -41.63 97.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.533 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.2 t -83.52 -45.7 13.28 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.357 -0.537 . . . . 0.0 112.365 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.634 ' C ' HD12 ' B' ' 41' ' ' LEU . 76.3 mm-40 -71.41 -35.26 70.93 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.107 -178.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.634 HD12 ' C ' ' B' ' 40' ' ' GLU . 7.7 mp -124.3 48.33 1.95 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -55.21 -33.22 62.87 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.305 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.01 -62.4 1.67 Allowed Glycine 0 CA--C 1.531 1.063 0 C-N-CA 120.989 -0.625 . . . . 0.0 112.331 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -58.73 -44.77 90.54 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.692 ' O ' ' N ' ' B' ' 47' ' ' ALA . 7.5 mp -96.13 -1.76 47.87 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.537 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 54.1 p30 -18.85 75.78 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 122.057 0.932 . . . . 0.0 112.62 -177.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.692 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -67.85 -15.75 63.77 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.806 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -53.94 -35.83 62.16 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.115 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.424 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 92.2 mttt -59.69 -36.59 76.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.526 0.679 . . . . 0.0 109.597 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 88.4 m-20 -136.53 89.74 2.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.078 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.09 -43.87 93.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.255 0.55 . . . . 0.0 111.441 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -58.16 -32.64 68.39 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.7 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.31 -30.36 62.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.547 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.427 HG21 ' HD3' ' B' ' 34' ' ' LYS . 53.0 t -57.74 -43.61 84.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.438 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' B' ' 58' ' ' MET . 90.0 m-20 -60.64 -40.38 91.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.579 0.704 . . . . 0.0 109.621 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -61.0 -39.26 89.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.88 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.15 -45.86 89.16 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.021 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.478 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -64.48 -35.74 81.92 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.924 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' B' ' 58' ' ' MET . 82.9 tttt -57.6 -41.03 80.4 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.812 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.31 -36.39 83.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.261 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.758 HD21 HD22 ' B' ' 77' ' ' LEU . 88.5 mt -66.44 -36.45 82.82 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.523 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 49.9 t0 -79.66 98.37 6.92 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.977 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -77.33 -34.94 55.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.76 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.421 ' ND2' ' HB3' ' B' ' 66' ' ' ASP . 44.1 p-10 -90.73 1.03 57.22 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.439 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 70.54 13.96 71.75 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.792 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.652 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.6 p30 -62.17 -33.44 74.52 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.652 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.58 -6.47 65.23 Favored Glycine 0 CA--C 1.518 0.244 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.468 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 82.2 tt0 -111.65 141.86 44.71 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 45.7 t -105.11 132.83 50.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.479 0.657 . . . . 0.0 111.172 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.5 t0 -98.75 147.48 24.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.822 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 52.2 t80 -51.62 -37.72 51.39 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -58.92 -38.42 78.89 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.065 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 98.5 mt-10 -68.69 -42.29 77.98 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.488 0.661 . . . . 0.0 110.495 178.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -66.36 -43.11 86.91 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.577 HG13 ' O ' ' B' ' 71' ' ' PHE . 30.5 m -65.16 -36.73 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.98 -40.33 78.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 C-N-CA 118.665 -1.214 . . . . 0.0 110.75 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.758 HD22 HD21 ' B' ' 61' ' ' LEU . 25.1 tp -67.8 -41.74 82.66 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.468 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.6 p -59.23 -35.33 57.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.354 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.439 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.39 -38.15 83.07 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.566 -0.453 . . . . 0.0 109.984 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.98 -41.31 74.61 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.883 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.607 HD13 HD21 ' B' ' 45' ' ' LEU . 70.1 mt -63.6 -39.16 93.66 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.2 t -59.31 -40.9 87.71 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.236 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.8 -40.25 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.3 75.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.724 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 71.0 m -54.51 -35.59 63.3 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.224 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -56.4 -34.89 67.16 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.386 0.612 . . . . 0.0 110.264 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -53.01 -38.15 62.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.3 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -57.14 -44.85 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.338 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -62.53 -41.33 98.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.851 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -57.87 -33.59 68.86 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.31 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.39 -32.42 71.29 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.488 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -54.87 -36.68 65.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.416 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.219 -0.552 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.525 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.431 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 40.1 m -63.03 155.62 27.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 110.508 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.19 -35.46 78.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.843 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.73 ' O ' HD23 ' A' ' 4' ' ' LEU . 7.5 tt -59.34 -40.37 86.16 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.95 -40.93 90.69 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.117 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.7 m -65.78 -38.09 88.08 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.183 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.31 -51.59 62.71 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -39.14 88.94 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 118.709 -1.196 . . . . 0.0 110.031 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.43 -37.1 85.91 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.756 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 14' ' ' VAL . 51.2 m -61.56 -43.08 99.52 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.746 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.542 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 92.3 mt -61.9 -43.02 99.7 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.794 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.8 mt -63.61 -46.67 94.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.777 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -61.93 -40.62 96.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.181 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 10' ' ' THR . 75.1 t -67.83 -46.12 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.146 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.569 ' CE2' ' CE2' ' A' ' 74' ' ' TYR . 2.0 m-85 -64.57 -48.12 76.2 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 121.537 0.684 . . . . 0.0 109.97 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -62.77 -40.23 96.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.96 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.04 92.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.211 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.511 ' HA ' ' HZ2' ' A' ' 21' ' ' LYS . 62.7 m170 -88.36 -28.37 21.02 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.756 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.1 t -59.06 -36.42 75.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.17 0.51 . . . . 0.0 111.271 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.44 -29.58 60.77 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 115.558 -0.747 . . . . 0.0 113.601 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.511 ' HZ2' ' HA ' ' A' ' 18' ' ' HIS . 31.7 mtmm -56.89 -39.87 75.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.904 0.852 . . . . 0.0 111.995 -177.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.544 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -139.16 141.11 38.02 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.416 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.39 -163.59 52.89 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 178.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.31 143.47 48.67 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.859 0.361 . . . . 0.0 110.198 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.57 -39.03 82.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 122.352 1.072 . . . . 0.0 109.33 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 68.3 m-85 -69.18 -27.59 65.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 113.204 -1.816 . . . . 0.0 113.232 -177.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -112.75 142.71 45.06 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.626 HD12 ' CD2' ' A' ' 74' ' ' TYR . 87.3 mt -99.56 138.79 36.16 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.53 -1.214 . . . . 0.0 108.768 175.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -100.45 163.65 12.27 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.584 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 86.0 tttt -52.76 -41.46 64.08 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.229 -177.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.1 -51.46 69.03 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.825 -0.75 . . . . 0.0 111.998 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.544 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.7 mt-10 -63.58 -39.32 94.08 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.774 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.0 -41.33 99.55 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.248 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HD3' HG21 ' A' ' 54' ' ' VAL . 14.8 tptp -61.28 -46.74 89.08 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.236 176.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.505 ' O ' HG22 ' A' ' 39' ' ' THR . 77.8 mm-40 -66.59 -36.11 81.83 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.033 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' A' ' 18' ' ' HIS . 0.5 OUTLIER -68.23 -47.69 67.11 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 119.721 -0.791 . . . . 0.0 111.443 179.603 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.6 mt -68.5 -44.07 75.49 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 119.416 -0.913 . . . . 0.0 110.983 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -64.25 -42.17 96.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.471 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 35' ' ' GLU . 2.1 t -80.38 -43.0 21.81 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.196 -0.602 . . . . 0.0 112.297 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.78 ' C ' HD12 ' A' ' 41' ' ' LEU . 77.0 mm-40 -71.33 -35.72 71.32 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.593 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.78 HD12 ' C ' ' A' ' 40' ' ' GLU . 7.5 mp -126.31 58.39 1.37 Allowed 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.277 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -55.14 -32.12 61.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.552 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.94 -67.54 1.38 Allowed Glycine 0 CA--C 1.53 1.013 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.078 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -58.52 -44.4 89.5 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.653 ' O ' ' N ' ' A' ' 47' ' ' ALA . 59.5 mt -92.72 -1.79 56.55 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.541 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 55.8 p30 -20.74 78.59 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.848 0.832 . . . . 0.0 112.497 -178.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.653 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -63.35 -24.45 67.86 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 114.838 -1.073 . . . . 0.0 111.206 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.45 -34.33 64.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.31 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.492 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 74.9 mmtt -58.68 -36.76 74.71 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 90.8 m-20 -140.8 88.21 2.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.296 -1.32 . . . . 0.0 110.469 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.51 -39.31 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.948 0.404 . . . . 0.0 110.636 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.639 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.7 p30 -61.38 -30.8 70.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.663 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.639 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -59.11 -30.85 68.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.599 -178.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.414 HG21 ' HD3' ' A' ' 34' ' ' LYS . 54.8 t -57.87 -44.07 85.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.329 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.584 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 86.3 m-20 -60.99 -41.47 96.57 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.796 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -60.14 -39.07 85.04 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.698 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.23 -45.16 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.344 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.486 ' SD ' ' C ' ' A' ' 58' ' ' MET . 2.5 ppp? -65.78 -38.35 88.81 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.964 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 58' ' ' MET . 92.5 mttt -59.32 -38.14 79.53 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 119.564 -0.854 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.42 -38.16 90.05 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.354 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.751 HD21 HD22 ' A' ' 77' ' ' LEU . 81.5 mt -67.6 -36.59 81.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.664 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -98.0 33.87 2.04 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.876 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -52.17 -30.52 27.3 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 121.585 0.707 . . . . 0.0 109.273 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.529 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 12.5 m120 -52.91 -34.39 54.83 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.752 -178.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.32 3.9 62.96 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.686 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.5 p30 -61.47 -35.88 78.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.829 -0.686 . . . . 0.0 112.083 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.686 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 93.59 -10.83 72.31 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -119.48 149.51 41.77 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.0 t -97.02 128.63 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.678 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -88.06 130.78 34.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.276 -1.329 . . . . 0.0 110.425 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.434 ' CE2' HG11 ' A' ' 75' ' ' VAL . 77.7 t80 -50.59 -42.52 55.89 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.818 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.583 ' O ' HG23 ' A' ' 76' ' ' VAL . 63.3 tt0 -58.73 -42.23 88.27 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.667 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.529 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.4 mt-10 -67.4 -39.77 85.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.07 0.462 . . . . 0.0 111.593 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.626 ' CD2' HD12 ' A' ' 28' ' ' LEU . 23.1 t80 -64.55 -44.19 91.56 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -179.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.434 HG11 ' CE2' ' A' ' 71' ' ' PHE . 33.5 m -67.39 -34.71 70.51 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.554 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 72' ' ' GLN . 79.8 t -61.51 -44.52 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.195 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.751 HD22 HD21 ' A' ' 61' ' ' LEU . 28.7 tp -64.82 -39.19 93.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.977 178.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.416 ' O ' HG22 ' A' ' 82' ' ' THR . 52.6 t -58.56 -39.53 75.88 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.76 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.407 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -57.14 -39.25 74.83 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.501 -178.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.77 75.69 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.369 -0.533 . . . . 0.0 111.318 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.68 -38.86 92.72 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.556 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 0.6 OUTLIER -60.39 -40.38 90.72 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.329 -0.948 . . . . 0.0 109.786 -179.611 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.95 -42.09 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.66 -31.83 73.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.785 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -55.55 -40.55 72.04 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.142 -179.313 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.589 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 19.2 t-20 -58.64 -38.24 77.68 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.408 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -53.78 -38.53 64.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.935 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -64.53 -38.21 90.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.882 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -59.14 -45.99 89.53 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.199 0.523 . . . . 0.0 109.603 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.589 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 90.3 m95 -59.22 -34.74 72.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.235 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.18 -33.34 67.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.584 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -55.48 -34.46 64.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.597 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.573 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.439 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 40.5 m -63.03 155.63 27.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.722 0.296 . . . . 0.0 110.517 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.12 -35.58 79.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.843 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.719 ' O ' HD23 ' B' ' 4' ' ' LEU . 7.5 tt -59.2 -40.51 85.99 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.02 -40.96 91.1 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.021 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.42 ' O ' ' OG1' ' B' ' 10' ' ' THR . 47.5 m -65.69 -38.09 88.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.203 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.32 -51.63 62.5 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.514 -0.766 . . . . 0.0 113.01 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -39.26 89.03 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.139 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.29 -37.17 86.33 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.746 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' B' ' 6' ' ' THR . 51.9 m -61.59 -43.1 99.48 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.68 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.538 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 92.7 mt -61.88 -43.03 99.68 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.792 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.62 -46.64 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.725 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -62.01 -40.58 96.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.164 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.414 HG23 ' O ' ' B' ' 10' ' ' THR . 75.8 t -67.82 -46.15 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.191 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.561 ' CE2' ' CE2' ' B' ' 74' ' ' TYR . 2.0 m-85 -64.43 -48.22 76.13 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.591 0.71 . . . . 0.0 109.97 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -62.77 -40.24 96.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.95 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.1 92.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.204 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.536 ' HA ' ' HZ2' ' B' ' 21' ' ' LYS . 62.6 m170 -88.38 -28.41 20.97 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.732 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -59.06 -36.32 74.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.15 0.5 . . . . 0.0 111.374 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.49 -29.63 60.97 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-N 115.526 -0.761 . . . . 0.0 113.581 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.536 ' HZ2' ' HA ' ' B' ' 18' ' ' HIS . 31.7 mtmm -56.89 -39.78 75.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.958 0.879 . . . . 0.0 111.954 -177.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.9 mm-40 -139.18 141.03 37.98 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.29 -0.564 . . . . 0.0 111.374 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.49 -163.53 53.07 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.49 -0.862 . . . . 0.0 110.98 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -72.41 143.47 48.51 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.81 0.338 . . . . 0.0 110.19 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.59 -38.92 82.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 122.288 1.042 . . . . 0.0 109.356 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.504 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 68.8 m-85 -69.27 -27.55 65.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.181 -1.827 . . . . 0.0 113.222 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -112.79 142.69 45.13 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.63 HD12 ' CD2' ' B' ' 74' ' ' TYR . 87.4 mt -99.51 138.83 36.05 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 114.516 -1.22 . . . . 0.0 108.763 175.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -100.5 163.62 12.28 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.599 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 85.9 tttt -52.79 -41.44 64.13 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.27 -177.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.01 -51.51 68.91 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.764 -0.775 . . . . 0.0 111.99 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.552 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.7 mt-10 -63.59 -39.24 93.87 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.81 -176.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.08 -41.31 99.4 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.244 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.432 ' HD3' HG21 ' B' ' 54' ' ' VAL . 14.8 tptp -61.26 -46.77 89.0 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.228 176.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.493 ' O ' HG22 ' B' ' 39' ' ' THR . 77.8 mm-40 -66.54 -36.15 81.97 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.082 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.469 HD21 ' CB ' ' B' ' 18' ' ' HIS . 0.5 OUTLIER -68.16 -47.83 66.97 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 119.738 -0.785 . . . . 0.0 111.392 179.615 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 37' ' ' LEU . 70.9 mt -68.38 -44.07 75.95 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.015 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -64.34 -42.17 96.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.45 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.493 HG22 ' O ' ' B' ' 35' ' ' GLU . 2.0 t -80.28 -43.04 21.98 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.218 -0.593 . . . . 0.0 112.39 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.773 ' C ' HD12 ' B' ' 41' ' ' LEU . 76.9 mm-40 -71.32 -35.71 71.33 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 119.985 -0.686 . . . . 0.0 111.659 -178.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.773 HD12 ' C ' ' B' ' 40' ' ' GLU . 7.5 mp -126.25 58.36 1.37 Allowed 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.291 178.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -55.15 -32.06 61.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.0 -67.58 1.37 Allowed Glycine 0 CA--C 1.53 0.989 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.041 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -58.49 -44.49 89.43 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.667 ' O ' ' N ' ' B' ' 47' ' ' ALA . 59.7 mt -92.63 -1.88 56.54 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.55 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 55.5 p30 -20.75 78.68 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.762 0.791 . . . . 0.0 112.454 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -63.4 -24.34 67.8 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.232 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -55.46 -34.35 64.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.321 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.506 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 75.0 mmtt -58.69 -36.9 74.96 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 91.0 m-20 -140.67 88.23 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.296 -1.32 . . . . 0.0 110.445 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.49 -39.34 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.954 0.407 . . . . 0.0 110.606 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.7 p30 -61.4 -30.81 70.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.659 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.651 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -59.03 -30.93 68.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.541 -178.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.432 HG21 ' HD3' ' B' ' 34' ' ' LYS . 54.4 t -57.84 -44.09 85.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.3 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.599 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 86.5 m-20 -60.97 -41.51 96.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.486 0.66 . . . . 0.0 109.783 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -60.22 -38.97 85.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.978 -0.689 . . . . 0.0 109.729 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.28 -45.07 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.316 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.482 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.5 ppp? -65.84 -38.36 88.68 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.111 -0.636 . . . . 0.0 111.933 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -59.26 -38.22 79.55 Favored 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 119.473 -0.891 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.35 -38.22 90.27 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.35 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.762 HD21 HD22 ' B' ' 77' ' ' LEU . 81.5 mt -67.48 -36.68 81.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.689 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -98.01 33.93 2.03 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.924 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -52.17 -30.44 26.93 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 121.544 0.688 . . . . 0.0 109.321 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.533 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 12.6 m120 -53.04 -34.26 55.64 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.71 -177.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.28 3.88 63.04 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 108.725 -1.75 . . . . 0.0 108.725 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.691 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.6 p30 -61.54 -35.8 78.77 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.848 -0.676 . . . . 0.0 112.064 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.691 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 93.57 -10.87 72.3 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -119.44 149.53 41.71 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 56.3 t -97.07 128.65 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 119.734 -0.787 . . . . 0.0 110.657 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -87.98 130.75 34.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.143 -1.389 . . . . 0.0 110.448 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.44 ' CE2' HG11 ' B' ' 75' ' ' VAL . 77.6 t80 -50.51 -42.58 55.09 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.875 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.586 ' O ' HG23 ' B' ' 76' ' ' VAL . 63.3 tt0 -58.76 -42.19 88.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.671 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.533 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.4 mt-10 -67.4 -39.74 85.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.125 0.488 . . . . 0.0 111.561 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.63 ' CD2' HD12 ' B' ' 28' ' ' LEU . 23.0 t80 -64.62 -44.17 91.41 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.938 -178.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.44 HG11 ' CE2' ' B' ' 71' ' ' PHE . 33.4 m -67.49 -34.64 69.75 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.485 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 72' ' ' GLN . 79.4 t -61.6 -44.46 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.208 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.762 HD22 HD21 ' B' ' 61' ' ' LEU . 28.7 tp -64.87 -39.13 93.07 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.009 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.406 ' O ' HG22 ' B' ' 82' ' ' THR . 53.0 t -58.51 -39.48 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.825 -179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.405 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -57.19 -39.23 74.96 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.548 -178.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.43 -41.8 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.24 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.81 -38.74 92.22 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.567 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 0.6 OUTLIER -60.46 -40.41 91.08 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 119.374 -0.93 . . . . 0.0 109.75 -179.629 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.6 t -61.94 -42.09 93.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.67 -31.78 73.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.836 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -55.56 -40.5 72.03 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.134 -179.377 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.598 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 19.1 t-20 -58.68 -38.3 77.92 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.34 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -53.72 -38.62 64.48 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.864 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -64.5 -38.22 90.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.896 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -59.14 -46.01 89.47 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.202 0.525 . . . . 0.0 109.626 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.598 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 90.2 m95 -59.32 -34.55 72.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.266 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.27 -33.39 67.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.563 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -55.48 -34.44 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.624 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.57 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -119.95 148.5 43.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.818 0.342 . . . . 0.0 110.57 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.424 ' HB2' HG11 ' B' ' 14' ' ' VAL . 92.2 mt-10 -61.56 -35.24 77.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.489 HD22 ' OE1' ' B' ' 40' ' ' GLU . 30.6 tp -58.0 -40.88 81.83 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.866 -178.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.58 -40.99 93.74 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.219 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.8 m -65.84 -38.71 89.62 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.347 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.3 89.27 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.833 -177.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.51 ' SD ' HD21 ' B' ' 41' ' ' LEU . 57.4 mtm -58.25 -40.81 82.76 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 118.466 -1.293 . . . . 0.0 109.077 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 97.8 mt-10 -67.36 -36.66 81.84 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.458 178.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.616 ' O ' HG13 ' A' ' 14' ' ' VAL . 44.7 m -61.7 -43.4 98.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.526 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.6 -47.65 82.88 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.466 0.651 . . . . 0.0 111.533 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.553 HD13 HD21 ' B' ' 86' ' ' ASN . 78.0 mt -66.1 -42.27 91.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.609 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 88.5 m-20 -61.23 -39.12 89.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.259 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 10' ' ' THR . 18.6 m -78.48 -48.57 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 119.459 -0.896 . . . . 0.0 112.125 -179.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.499 ' N ' HG23 ' A' ' 14' ' ' VAL . 65.6 m-85 -66.71 -41.1 88.51 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 119.223 -0.991 . . . . 0.0 111.444 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 85.0 t60 -60.96 -43.85 98.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.149 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.94 -51.37 56.02 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.57 -0.452 . . . . 0.0 112.176 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.756 ' CB ' HD21 ' A' ' 36' ' ' LEU . 38.4 m80 -61.4 -42.74 99.2 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -58.68 -35.41 72.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.261 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.05 -29.1 59.08 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.928 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -56.63 -40.64 75.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.478 0.639 . . . . 0.0 111.655 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.525 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -143.89 139.54 29.27 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.705 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.21 -166.15 54.75 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -72.6 143.9 48.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.819 0.342 . . . . 0.0 110.259 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -59.79 -39.08 83.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 122.418 1.104 . . . . 0.0 109.197 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.514 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 69.1 m-85 -69.76 -24.77 63.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 113.056 -1.884 . . . . 0.0 112.853 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.507 ' CB ' ' OE2' ' A' ' 68' ' ' GLU . 17.2 mmtm -112.42 143.06 44.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.429 0.633 . . . . 0.0 112.677 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.6 mt -98.67 133.23 43.3 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.55 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -89.18 155.82 19.18 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.557 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 64.4 tttt -53.6 -39.87 65.24 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 118.779 -1.168 . . . . 0.0 108.439 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.67 -51.98 65.09 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.525 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.4 mt-10 -63.14 -40.14 96.72 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.674 -176.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.51 -44.58 96.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.524 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.565 ' HZ1' ' CD ' ' A' ' 38' ' ' GLN . 17.5 tptp -60.54 -44.84 95.67 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.393 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.416 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -69.25 -38.58 78.53 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.591 -1.186 . . . . 0.0 112.092 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.756 HD21 ' CB ' ' A' ' 18' ' ' HIS . 44.6 mt -68.13 -47.8 67.13 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.034 -0.667 . . . . 0.0 112.26 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.1 mt -69.54 -42.05 75.13 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.499 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.565 ' CD ' ' HZ1' ' A' ' 34' ' ' LYS . 20.1 tt0 -64.83 -41.88 95.38 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.984 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.9 t -83.3 -47.07 11.89 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.73 -0.788 . . . . 0.0 112.32 -178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.654 ' C ' HD12 ' A' ' 41' ' ' LEU . 95.3 mt-10 -72.92 -33.91 66.27 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.18 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.654 HD12 ' C ' ' A' ' 40' ' ' GLU . 9.0 mp -122.72 51.52 1.4 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.454 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -58.07 -25.43 61.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.28 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.55 -69.35 1.3 Allowed Glycine 0 CA--C 1.529 0.953 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.666 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -58.64 -43.61 89.81 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.714 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -91.35 -3.43 56.78 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.531 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 55.1 p30 -20.42 72.12 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -177.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.714 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -66.56 -22.27 66.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.075 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -55.25 -35.71 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.862 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.491 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 12.1 mtpp -59.22 -35.25 73.31 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.053 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.0 m-20 -138.67 99.95 3.95 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.428 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.33 -40.8 87.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.926 0.393 . . . . 0.0 110.748 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.8 p30 -62.4 -30.91 71.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.191 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.653 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -60.17 -27.35 67.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.947 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.3 t -56.76 -43.56 79.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.987 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.557 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 90.1 m-20 -59.29 -41.04 88.04 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 119.55 -0.86 . . . . 0.0 108.86 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.54 -38.31 89.53 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.719 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 53' ' ' ALA . 77.5 t -63.52 -47.41 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.184 -178.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.679 ' SD ' ' ND2' ' A' ' 64' ' ' ASN . 2.6 ppp? -67.03 -39.26 86.95 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 119.408 -0.917 . . . . 0.0 110.445 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 62' ' ' ASP . 44.1 tttm -59.69 -43.05 94.19 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.914 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.11 -36.95 84.52 Favored 'General case' 0 C--N 1.334 -0.078 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.958 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 74' ' ' TYR . 73.0 mt -65.86 -56.12 13.48 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.404 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.68 ' CG ' HG13 ' A' ' 69' ' ' VAL . 21.0 m-20 -116.25 145.96 42.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.316 177.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.441 ' HG3' ' H ' ' A' ' 65' ' ' GLY . 20.7 pt-20 -68.53 -29.27 67.81 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.679 ' ND2' ' SD ' ' A' ' 58' ' ' MET . 86.7 m-20 56.27 41.92 28.58 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 112.848 -1.978 . . . . 0.0 115.589 177.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' H ' ' HG3' ' A' ' 63' ' ' GLU . . . -56.54 -32.89 61.63 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 104.631 -3.388 . . . . 0.0 104.631 174.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.741 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 44.9 p30 -64.28 -35.88 82.3 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 112.469 -1.865 . . . . 0.0 112.081 178.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.741 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 92.46 -10.35 74.32 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 -178.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.507 ' OE2' ' CB ' ' A' ' 27' ' ' LYS . 83.9 tt0 -115.7 148.36 39.83 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.68 HG13 ' CG ' ' A' ' 62' ' ' ASP . 42.5 t -97.42 128.38 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 118.863 -1.135 . . . . 0.0 110.845 -178.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.468 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 60.8 t0 -91.73 129.58 37.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.27 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.558 ' CE2' HG11 ' A' ' 75' ' ' VAL . 79.2 t80 -52.52 -41.74 63.74 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.695 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.481 ' O ' HG22 ' A' ' 75' ' ' VAL . 63.2 tt0 -57.38 -41.97 81.25 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.513 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.423 ' CB ' ' OD1' ' A' ' 62' ' ' ASP . 98.7 mt-10 -68.2 -38.7 82.23 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.135 0.493 . . . . 0.0 110.911 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.466 ' CD1' HD22 ' A' ' 61' ' ' LEU . 64.5 t80 -62.86 -42.17 99.65 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.558 HG11 ' CE2' ' A' ' 71' ' ' PHE . 33.0 m -65.83 -32.21 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.015 -178.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.76 -50.22 78.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 118.996 -1.082 . . . . 0.0 111.539 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 77' ' ' LEU . 35.8 tp -73.91 -38.89 64.2 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 p -56.28 -33.01 36.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 119.611 -0.835 . . . . 0.0 110.269 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -58.09 -38.02 75.62 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.28 -38.06 78.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.127 0.489 . . . . 0.0 109.922 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.91 -39.76 95.52 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.59 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -61.06 -40.77 94.93 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 119.165 -1.014 . . . . 0.0 109.468 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.11 -41.2 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.65 74.29 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.896 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 78.2 m -53.75 -38.22 64.18 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.206 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.541 HD21 HD13 ' B' ' 12' ' ' ILE . 86.3 m-20 -58.83 -36.42 74.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.205 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -53.43 -40.28 65.04 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.446 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -63.31 -37.59 87.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.988 177.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.21 -45.38 91.26 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.203 0.525 . . . . 0.0 109.599 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -58.75 -34.68 71.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.349 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.65 -32.6 72.77 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.547 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.569 ' O ' ' CB ' ' A' ' 93' ' ' SER . 34.3 t30 -100.4 128.82 46.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.528 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 1.3 t . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.704 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -119.91 148.53 43.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.813 0.34 . . . . 0.0 110.618 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.429 ' HB2' HG11 ' A' ' 14' ' ' VAL . 92.4 mt-10 -61.64 -35.2 77.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.493 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.482 HD22 ' OE1' ' A' ' 40' ' ' GLU . 30.4 tp -58.02 -40.83 81.83 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.857 -178.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.57 -41.03 93.78 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.209 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.9 m -65.76 -38.78 90.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.388 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.33 89.22 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.759 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.51 ' SD ' HD21 ' A' ' 41' ' ' LEU . 57.4 mtm -58.33 -40.84 83.18 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 118.446 -1.302 . . . . 0.0 109.016 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 97.8 mt-10 -67.29 -36.6 81.87 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.469 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.593 ' O ' HG13 ' B' ' 14' ' ' VAL . 45.3 m -61.83 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.512 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.49 -47.76 82.54 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.519 0.676 . . . . 0.0 111.516 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.541 HD13 HD21 ' A' ' 86' ' ' ASN . 78.2 mt -66.09 -42.22 90.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.627 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 88.0 m-20 -61.27 -39.11 89.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.324 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.593 HG13 ' O ' ' B' ' 10' ' ' THR . 18.6 m -78.42 -48.59 22.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.102 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.51 ' N ' HG23 ' B' ' 14' ' ' VAL . 65.6 m-85 -66.72 -41.2 88.32 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 119.255 -0.978 . . . . 0.0 111.407 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.444 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 85.1 t60 -60.84 -43.97 97.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.124 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.91 -51.31 56.83 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.753 ' CB ' HD21 ' B' ' 36' ' ' LEU . 38.4 m80 -61.39 -42.87 99.41 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -58.58 -35.37 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.076 0.465 . . . . 0.0 111.334 -178.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.1 -29.16 59.29 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.861 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -56.63 -40.64 75.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.488 0.644 . . . . 0.0 111.625 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.51 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -143.81 139.57 29.4 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.671 178.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.32 -166.25 54.71 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.556 -1.018 . . . . 0.0 110.556 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.64 143.89 47.99 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 120.843 0.354 . . . . 0.0 110.313 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -59.78 -39.07 83.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 122.393 1.092 . . . . 0.0 109.225 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.509 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 68.1 m-85 -69.65 -24.9 63.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 113.025 -1.898 . . . . 0.0 112.897 -177.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.505 ' CB ' ' OE2' ' B' ' 68' ' ' GLU . 17.2 mmtm -112.37 142.96 44.25 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.5 mt -98.65 133.3 43.17 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.544 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.8 t -89.22 155.82 19.16 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.572 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 64.5 tttt -53.6 -39.93 65.28 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 118.757 -1.177 . . . . 0.0 108.374 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.62 -51.93 65.36 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.51 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.6 mt-10 -63.23 -40.15 96.64 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.622 -176.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.4 -44.73 95.74 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.537 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.557 ' HZ1' ' CD ' ' B' ' 38' ' ' GLN . 17.6 tptp -60.45 -44.78 95.48 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.498 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.415 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -69.21 -38.6 78.66 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 114.606 -1.179 . . . . 0.0 112.124 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.753 HD21 ' CB ' ' B' ' 18' ' ' HIS . 44.8 mt -68.21 -47.76 67.02 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.227 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 64.0 mt -69.59 -41.98 75.04 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.552 -0.859 . . . . 0.0 110.519 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.557 ' CD ' ' HZ1' ' B' ' 34' ' ' LYS . 20.1 tt0 -64.82 -41.95 95.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.959 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.489 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.9 t -83.29 -46.92 12.07 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.654 -0.818 . . . . 0.0 112.349 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.646 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.3 mt-10 -73.01 -33.88 66.03 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.175 -178.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.646 HD12 ' C ' ' B' ' 40' ' ' GLU . 9.0 mp -122.68 51.42 1.41 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.479 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -57.97 -25.41 60.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.297 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.61 -69.34 1.3 Allowed Glycine 0 CA--C 1.53 1.016 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.655 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -58.61 -43.64 89.69 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.719 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.5 OUTLIER -91.34 -3.4 56.82 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.532 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 55.1 p30 -20.45 72.15 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -177.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.719 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -66.61 -22.28 66.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.077 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -55.3 -35.72 65.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.795 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.488 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 12.1 mtpp -59.2 -35.25 73.25 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.068 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 90.8 m-20 -138.69 99.92 3.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.483 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 78.4 t -61.36 -40.79 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 110.753 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.8 p30 -62.26 -31.04 71.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.257 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.645 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -60.16 -27.32 67.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.978 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -56.61 -43.56 79.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.03 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.572 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 90.1 m-20 -59.3 -41.04 88.04 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 119.521 -0.872 . . . . 0.0 108.895 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.55 -38.33 89.64 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.589 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 53' ' ' ALA . 77.9 t -63.57 -47.38 91.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.11 -178.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.685 ' SD ' ' ND2' ' B' ' 64' ' ' ASN . 2.6 ppp? -67.11 -39.26 86.64 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 119.364 -0.935 . . . . 0.0 110.439 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' B' ' 62' ' ' ASP . 44.1 tttm -59.59 -43.03 93.83 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.978 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.14 -37.03 84.7 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.991 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' B' ' 74' ' ' TYR . 72.7 mt -65.79 -56.06 13.95 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.507 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.672 ' CG ' HG13 ' B' ' 69' ' ' VAL . 20.9 m-20 -116.26 145.89 42.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.273 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.44 ' HG3' ' H ' ' B' ' 65' ' ' GLY . 20.6 pt-20 -68.44 -29.29 67.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 105.58 -2.008 . . . . 0.0 105.58 174.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.685 ' ND2' ' SD ' ' B' ' 58' ' ' MET . 86.6 m-20 56.19 41.92 28.76 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 112.854 -1.975 . . . . 0.0 115.607 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.44 ' H ' ' HG3' ' B' ' 63' ' ' GLU . . . -56.54 -32.83 61.56 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 104.68 -3.368 . . . . 0.0 104.68 174.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.744 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 44.9 p30 -64.36 -35.78 82.0 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 112.467 -1.867 . . . . 0.0 112.091 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.744 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 92.34 -10.28 74.55 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.505 ' OE2' ' CB ' ' B' ' 27' ' ' LYS . 84.0 tt0 -115.61 148.39 39.68 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.672 HG13 ' CG ' ' B' ' 62' ' ' ASP . 42.6 t -97.48 128.38 48.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 118.849 -1.141 . . . . 0.0 110.834 -178.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.448 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 60.8 t0 -91.68 129.63 37.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.065 -1.425 . . . . 0.0 111.226 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.555 ' CE2' HG11 ' B' ' 75' ' ' VAL . 79.3 t80 -52.53 -41.74 63.76 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.668 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.47 ' O ' HG22 ' B' ' 75' ' ' VAL . 63.2 tt0 -57.51 -41.83 81.59 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.495 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.415 ' CB ' ' OD1' ' B' ' 62' ' ' ASP . 98.7 mt-10 -68.21 -38.79 82.3 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.18 0.514 . . . . 0.0 110.921 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.468 ' CD1' HD22 ' B' ' 61' ' ' LEU . 64.8 t80 -62.74 -42.29 99.59 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.555 HG11 ' CE2' ' B' ' 71' ' ' PHE . 32.9 m -65.7 -32.34 57.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.028 -0.669 . . . . 0.0 112.063 -178.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.65 -50.22 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 119.0 -1.08 . . . . 0.0 111.588 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.7 tp -73.87 -38.95 64.28 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 p -56.28 -33.07 36.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.233 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.448 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -58.0 -38.01 75.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.32 -38.01 78.02 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.422 -0.511 . . . . 0.0 109.95 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.95 -39.67 95.33 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.658 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 0.6 OUTLIER -61.14 -40.66 94.66 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.492 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.19 -41.17 90.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.13 -32.67 74.33 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.83 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 78.2 m -53.71 -38.26 64.11 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.217 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.553 HD21 HD13 ' A' ' 12' ' ' ILE . 86.5 m-20 -58.92 -36.22 74.38 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.26 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -53.46 -40.21 65.07 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 119.959 -0.696 . . . . 0.0 109.431 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -63.54 -37.49 87.52 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.881 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.18 -45.36 91.25 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.307 0.575 . . . . 0.0 109.656 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -58.76 -34.71 71.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.343 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.56 -32.78 72.88 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.459 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.563 ' O ' ' CB ' ' B' ' 93' ' ' SER . 34.5 t30 -100.44 128.96 46.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.475 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.563 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 1.3 t . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.697 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 p -69.82 161.93 28.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.604 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.37 -35.22 78.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 36.3 tp -59.2 -39.82 83.8 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.438 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.72 -40.92 89.62 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 119.35 -0.94 . . . . 0.0 108.772 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 m -66.14 -38.0 87.05 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.206 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.37 80.97 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.922 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.9 mtm -58.12 -42.48 85.86 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 119.132 -1.027 . . . . 0.0 108.942 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.09 -38.44 88.25 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 113.528 -1.669 . . . . 0.0 109.938 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.7 ' O ' HG23 ' A' ' 14' ' ' VAL . 45.2 m -61.74 -43.09 99.52 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.05 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.41 -43.64 96.51 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.375 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.33 -42.77 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.501 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -59.83 -39.03 83.74 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.286 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 10' ' ' THR . 81.1 t -65.33 -43.52 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.677 ' CE1' HD23 ' A' ' 28' ' ' LEU . 73.6 t80 -60.04 -52.89 63.44 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.964 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.64 -40.91 98.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.771 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.24 98.95 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.731 ' HB2' HD21 ' A' ' 36' ' ' LEU . 95.0 m-70 -98.84 -49.89 4.4 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.497 ' OG ' ' CD2' ' A' ' 28' ' ' LEU . 17.1 m -59.52 -37.3 77.99 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.77 -177.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.04 -36.42 92.27 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.467 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -59.58 -36.52 76.4 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -177.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -120.82 149.81 42.0 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.718 0.771 . . . . 0.0 112.906 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.82 -148.45 49.81 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 114.607 -1.179 . . . . 0.0 112.363 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -82.92 129.66 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.44 -0.88 . . . . 0.0 109.895 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.517 ' C ' ' H ' ' A' ' 27' ' ' LYS . 90.9 mttt -69.17 165.17 20.99 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 60.06 0.46 0.28 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.609 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.586 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 33.0 tptt -126.94 135.63 51.16 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.677 HD23 ' CE1' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -101.94 128.13 48.49 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.779 -177.063 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -104.0 160.03 15.17 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -55.31 -40.2 70.83 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.428 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -59.39 -48.73 80.51 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.428 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.473 ' OE1' HD22 ' A' ' 28' ' ' LEU . 98.5 mt-10 -62.45 -38.44 89.79 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.747 -177.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.27 -42.94 99.18 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.207 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.599 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -61.84 -47.05 86.8 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.86 178.178 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -69.19 -38.3 78.57 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 120.298 -0.561 . . . . 0.0 112.061 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.731 HD21 ' HB2' ' A' ' 18' ' ' HIS . 71.7 mt -64.42 -49.72 70.42 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 119.631 -0.828 . . . . 0.0 112.088 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.523 HD21 ' OH ' ' A' ' 74' ' ' TYR . 66.7 mt -69.77 -42.91 73.21 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.517 -0.873 . . . . 0.0 111.235 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.599 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.8 tt0 -63.88 -42.66 97.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.316 -0.856 . . . . 0.0 113.082 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.5 t -82.79 -46.27 13.3 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.853 -0.739 . . . . 0.0 112.419 -178.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.504 ' OE2' ' CG1' ' A' ' 14' ' ' VAL . 95.7 mt-10 -72.94 -35.52 67.01 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.658 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.2 mt -123.72 53.85 1.34 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.792 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -55.26 -32.36 62.28 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.593 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.53 -67.42 1.53 Allowed Glycine 0 CA--C 1.532 1.144 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.496 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -58.24 -43.51 87.84 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.685 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -90.43 -3.78 57.45 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.533 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 53.8 p30 -20.9 77.24 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.78 0.8 . . . . 0.0 112.564 -177.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.685 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -63.87 -24.76 67.87 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.28 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.52 -34.76 64.95 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.397 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.508 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 72.1 mmtt -59.01 -37.66 77.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.3 m-20 -142.32 89.13 2.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.255 -1.339 . . . . 0.0 110.502 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.45 -39.17 81.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.97 0.414 . . . . 0.0 110.547 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.4 p30 -61.8 -29.56 70.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.558 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.645 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -58.09 -30.52 66.31 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.442 HG21 ' HD3' ' A' ' 34' ' ' LYS . 58.7 t -57.08 -45.63 84.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.536 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -63.31 -39.31 94.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.431 0.634 . . . . 0.0 110.315 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -60.21 -42.02 94.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.483 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 m -76.48 -37.17 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 C-N-CA 119.426 -0.91 . . . . 0.0 111.577 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.492 ' SD ' ' C ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -62.71 -34.94 78.19 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.512 179.046 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -58.21 -41.12 83.35 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 120.161 -0.615 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.95 -37.09 86.49 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.473 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.732 HD21 HD22 ' A' ' 77' ' ' LEU . 81.9 mt -66.43 -36.13 82.04 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.491 0.663 . . . . 0.0 110.501 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -88.94 36.2 0.81 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.737 -1.119 . . . . 0.0 113.383 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -50.33 -30.47 12.15 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.468 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.532 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 14.0 m120 -52.39 -30.74 30.62 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.131 -178.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.24 4.31 56.42 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 108.517 -1.833 . . . . 0.0 108.517 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.462 ' OD1' ' C ' ' A' ' 66' ' ' ASP . 50.8 p30 -83.52 171.91 12.91 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-O 121.83 0.824 . . . . 0.0 109.611 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -99.69 -7.41 53.55 Favored Glycine 0 C--N 1.3 -1.425 0 CA-C-N 114.284 -1.326 . . . . 0.0 111.159 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.419 ' OE2' ' CG ' ' A' ' 27' ' ' LYS . 77.4 tt0 -116.22 150.64 37.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.8 0.333 . . . . 0.0 110.324 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.529 ' O ' ' O ' ' A' ' 28' ' ' LEU . 58.8 t -106.71 133.28 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.586 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 87.3 m-20 -85.43 145.75 27.3 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.341 178.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.609 ' CZ ' ' CG1' ' A' ' 75' ' ' VAL . 71.0 t80 -55.1 -39.27 69.14 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.357 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -55.41 -41.0 72.13 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 119.671 -0.811 . . . . 0.0 109.021 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.532 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 97.5 mt-10 -68.04 -38.81 82.95 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.996 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.523 ' OH ' HD21 ' A' ' 37' ' ' LEU . 86.3 t80 -62.76 -44.29 96.58 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.609 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 34.5 m -68.24 -36.07 73.71 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.7 t -63.82 -45.98 95.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 119.213 -0.995 . . . . 0.0 110.469 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.732 HD22 HD21 ' A' ' 61' ' ' LEU . 28.3 tp -68.51 -41.57 79.79 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.4 p -59.15 -33.57 50.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 C-N-CA 119.899 -0.72 . . . . 0.0 111.453 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.426 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -58.91 -37.57 76.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.59 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.3 -42.81 74.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.3 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 81' ' ' LEU . 7.0 mp -65.31 -38.38 90.01 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.1 t -57.84 -40.73 80.77 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.556 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.43 -42.14 92.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.04 0.448 . . . . 0.0 109.995 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.66 76.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.966 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.7 m -57.1 -37.03 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -56.83 -38.72 73.02 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.634 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -53.84 -40.08 66.15 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.522 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -63.18 -37.92 89.14 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.038 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -59.14 -45.63 90.46 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.666 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -58.49 -34.68 71.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.46 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.31 -32.93 72.79 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.77 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -55.57 -34.52 64.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.543 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.627 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -69.81 161.84 29.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.743 0.306 . . . . 0.0 110.618 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.26 -35.3 78.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.444 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 35.9 tp -59.11 -39.78 83.35 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.507 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.86 -40.92 90.23 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.744 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.7 m -66.07 -37.95 87.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.246 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.85 -47.33 81.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.982 -177.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 51.1 mtm -58.19 -42.49 86.23 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.916 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -66.06 -38.44 88.32 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 113.586 -1.643 . . . . 0.0 109.916 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.709 ' O ' HG23 ' B' ' 14' ' ' VAL . 45.4 m -61.76 -43.07 99.57 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.025 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.49 -43.59 96.85 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.425 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.1 mt -64.27 -42.84 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.552 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -59.72 -39.09 83.51 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.273 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.709 HG23 ' O ' ' B' ' 10' ' ' THR . 82.0 t -65.36 -43.49 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.676 ' CE1' HD23 ' B' ' 28' ' ' LEU . 73.3 t80 -59.93 -52.94 63.25 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.015 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.61 -41.0 98.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.711 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.3 98.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.737 ' HB2' HD21 ' B' ' 36' ' ' LEU . 95.2 m-70 -98.82 -49.91 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.499 ' OG ' ' CD2' ' B' ' 28' ' ' LEU . 17.1 m -59.52 -37.23 77.81 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.727 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.16 -36.38 92.28 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.416 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -59.51 -36.58 76.35 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -120.82 149.83 41.97 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.781 0.801 . . . . 0.0 112.892 -177.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.87 -148.5 49.91 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 114.618 -1.173 . . . . 0.0 112.368 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -82.82 129.55 35.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.489 -0.855 . . . . 0.0 109.894 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.506 ' C ' ' H ' ' B' ' 27' ' ' LYS . 90.9 mttt -69.1 165.14 20.94 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 60.08 0.5 0.28 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.584 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.584 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 33.1 tptt -126.96 135.7 51.25 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.676 HD23 ' CE1' ' B' ' 15' ' ' PHE . 0.7 OUTLIER -101.96 128.07 48.54 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.995 0.426 . . . . 0.0 110.711 -177.014 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 79.1 p -103.98 160.09 15.11 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.416 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -55.42 -40.15 71.11 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.405 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -59.33 -48.72 80.57 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.512 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.471 ' OE1' HD22 ' B' ' 28' ' ' LEU . 98.5 mt-10 -62.49 -38.39 89.72 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.773 -177.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.29 -42.95 99.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.157 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.585 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.9 OUTLIER -61.74 -47.12 86.66 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.919 178.133 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.424 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -69.1 -38.38 78.92 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.239 -0.584 . . . . 0.0 112.068 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.737 HD21 ' HB2' ' B' ' 18' ' ' HIS . 71.7 mt -64.36 -49.67 70.72 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 119.59 -0.844 . . . . 0.0 112.167 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.534 HD21 ' OH ' ' B' ' 74' ' ' TYR . 66.4 mt -69.8 -42.89 73.14 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.466 -0.894 . . . . 0.0 111.225 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.585 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.8 tt0 -63.83 -42.73 97.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.052 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.5 t -82.71 -46.42 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.988 -0.685 . . . . 0.0 112.43 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.504 ' OE2' ' CG1' ' B' ' 14' ' ' VAL . 95.6 mt-10 -72.89 -35.57 67.15 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 119.714 -0.794 . . . . 0.0 111.671 -178.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 77.2 mt -123.68 53.78 1.34 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.823 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -55.17 -32.39 62.11 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.603 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.57 -67.46 1.52 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.496 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -58.26 -43.39 87.86 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.675 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.3 OUTLIER -90.48 -3.79 57.4 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.543 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 53.9 p30 -20.99 77.19 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.818 0.818 . . . . 0.0 112.598 -177.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.675 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -63.86 -24.63 67.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.281 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.57 -34.81 65.1 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.403 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.517 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 72.1 mmtt -58.96 -37.67 77.3 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.517 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.2 m-20 -142.33 89.08 2.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.206 -1.361 . . . . 0.0 110.522 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.44 -39.24 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.992 0.425 . . . . 0.0 110.532 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.646 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.3 p30 -61.66 -29.61 70.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.624 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.646 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -58.14 -30.42 66.33 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.457 HG21 ' HD3' ' B' ' 34' ' ' LYS . 58.5 t -57.06 -45.63 84.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 119.549 -0.86 . . . . 0.0 109.6 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -63.31 -39.35 94.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.38 0.609 . . . . 0.0 110.261 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -60.24 -41.95 94.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.545 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 m -76.43 -37.21 30.33 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.661 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.484 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.0 OUTLIER -62.65 -34.97 78.15 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.556 178.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' B' ' 58' ' ' MET . 81.3 tttt -58.27 -40.95 83.21 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.274 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.03 -37.15 86.67 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.443 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.712 HD21 HD22 ' B' ' 77' ' ' LEU . 81.9 mt -66.4 -36.14 82.09 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.519 0.676 . . . . 0.0 110.5 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -88.93 36.22 0.81 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.722 -1.126 . . . . 0.0 113.352 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.38 -30.52 12.48 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 176.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.553 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 13.9 m120 -52.29 -30.84 30.0 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.154 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.21 4.45 56.42 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 108.569 -1.812 . . . . 0.0 108.569 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.455 ' OD1' ' C ' ' B' ' 66' ' ' ASP . 50.8 p30 -83.59 171.89 12.87 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-O 121.74 0.781 . . . . 0.0 109.592 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -99.71 -7.45 53.41 Favored Glycine 0 C--N 1.299 -1.483 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.164 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.422 ' OE2' ' CG ' ' B' ' 27' ' ' LYS . 77.4 tt0 -116.21 150.71 37.06 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.799 0.333 . . . . 0.0 110.354 -178.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.531 ' O ' ' O ' ' B' ' 28' ' ' LEU . 58.9 t -106.68 133.25 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.584 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 87.2 m-20 -85.39 145.77 27.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.382 178.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' B' ' 75' ' ' VAL . 70.8 t80 -55.2 -39.18 69.32 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.387 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -55.46 -41.0 72.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 119.679 -0.808 . . . . 0.0 108.995 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.553 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 97.5 mt-10 -68.01 -38.73 82.94 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.068 178.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.534 ' OH ' HD21 ' B' ' 37' ' ' LEU . 86.4 t80 -62.86 -44.21 96.73 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' B' ' 71' ' ' PHE . 34.4 m -68.2 -36.15 74.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.73 -46.17 95.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 119.279 -0.968 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.712 HD22 HD21 ' B' ' 61' ' ' LEU . 28.6 tp -68.57 -41.46 79.69 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.438 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.4 p -59.08 -33.67 51.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.458 -177.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.429 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -58.82 -37.6 76.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.652 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.35 -42.7 74.91 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.376 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.472 HD12 ' N ' ' B' ' 81' ' ' LEU . 7.0 mp -65.4 -38.22 89.31 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.1 t -57.95 -40.72 81.23 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.53 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.34 -42.21 92.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.045 0.45 . . . . 0.0 110.008 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.6 76.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.014 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 71.4 m -57.14 -37.01 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -56.94 -38.61 73.15 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.645 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -53.82 -40.12 66.11 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.534 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -63.23 -37.86 88.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.046 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -59.22 -45.6 90.68 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.738 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -58.48 -34.67 71.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.459 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.29 -32.89 72.74 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -55.59 -34.53 64.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.549 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.986 -1.006 . . . . 0.0 110.638 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p -69.62 161.89 28.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.733 0.301 . . . . 0.0 110.542 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -62.13 -34.48 76.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.746 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.463 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 34.9 tp -57.69 -41.05 80.84 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.282 -177.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.78 -41.02 94.73 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.41 -0.916 . . . . 0.0 108.969 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -65.61 -37.88 87.88 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.029 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.543 ' HB1' HD21 ' B' ' 11' ' ' LEU . . . -63.04 -46.52 87.14 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.294 -178.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.7 mtm -59.37 -41.21 88.77 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 118.798 -1.161 . . . . 0.0 109.557 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 97.8 mt-10 -67.4 -38.34 84.51 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.358 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 14' ' ' VAL . 42.2 m -63.49 -45.49 90.48 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 120.161 -0.615 . . . . 0.0 111.411 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.693 HD11 HD11 ' B' ' 11' ' ' LEU . 84.7 mt -62.47 -49.08 76.81 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.827 -0.749 . . . . 0.0 111.377 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.7 mt -62.16 -43.16 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.718 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 89.7 m-20 -61.19 -39.5 90.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.014 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 10' ' ' THR . 69.8 t -67.72 -49.44 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.774 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.426 ' HD1' HD13 ' A' ' 36' ' ' LEU . 65.7 m-85 -66.56 -44.54 82.01 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.756 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.85 -40.35 95.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.075 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.53 -52.61 62.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.014 -177.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -66.18 -40.69 90.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.936 0.398 . . . . 0.0 111.688 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.5 t -58.13 -37.73 75.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.17 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.6 -32.04 72.54 Favored Glycine 0 CA--C 1.522 0.509 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.522 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -57.31 -38.22 73.67 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.938 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.511 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -136.41 145.73 45.61 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.202 0.525 . . . . 0.0 111.98 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.58 -145.51 45.07 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 115.462 -0.79 . . . . 0.0 113.043 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -83.08 133.39 35.07 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 114.52 -0.84 . . . . 0.0 111.059 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.13 -40.01 73.12 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.746 0.784 . . . . 0.0 110.517 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 62.2 m-85 -71.84 -22.49 61.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.252 -1.34 . . . . 0.0 113.897 -177.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -112.62 142.56 45.07 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.3 mt -102.89 135.75 43.99 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.07 -1.423 . . . . 0.0 107.755 174.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.8 t -100.54 159.86 14.82 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.487 ' CE ' ' OD1' ' A' ' 55' ' ' ASP . 63.7 tttm -50.11 -40.02 44.59 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 118.726 -1.19 . . . . 0.0 109.094 -177.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -62.03 -50.31 72.55 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.046 -0.662 . . . . 0.0 112.089 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.511 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.6 mt-10 -63.53 -40.74 97.82 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.684 -175.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.7 -40.41 96.72 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.596 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.558 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -60.28 -45.32 93.75 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.192 177.785 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.839 ' O ' HG22 ' A' ' 39' ' ' THR . 78.1 mm-40 -68.31 -38.62 81.77 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 119.59 -0.844 . . . . 0.0 112.134 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.426 HD13 ' HD1' ' A' ' 15' ' ' PHE . 26.7 mt -62.28 -51.47 67.57 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 119.666 -0.814 . . . . 0.0 111.803 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 42' ' ' SER . 61.2 mt -70.44 -43.15 70.49 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 119.293 -0.963 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.558 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.8 tt0 -57.82 -41.24 81.8 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.99 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.839 HG22 ' O ' ' A' ' 35' ' ' GLU . 13.5 t -81.9 -32.6 30.88 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 119.192 -1.003 . . . . 0.0 111.792 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.765 ' HG3' HG23 ' A' ' 39' ' ' THR . 96.3 mt-10 -109.89 -45.03 3.69 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 117.852 2.538 . . . . 0.0 117.852 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.5 mt -131.9 0.66 3.9 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.661 ' O ' ' N ' ' A' ' 46' ' ' ASP . 22.8 t -53.51 -43.1 68.03 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 117.425 -1.71 . . . . 0.0 110.742 -174.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.55 -37.97 68.62 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 119.126 -1.512 . . . . 0.0 110.579 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -56.37 -39.6 73.2 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.8 mt -91.74 -72.72 0.57 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.479 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.707 ' OD2' ' HB1' ' A' ' 53' ' ' ALA . 84.6 m-20 -109.37 -112.6 0.31 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.518 ' HB2' ' OG ' ' A' ' 42' ' ' SER . . . 31.15 -59.63 0.0 OUTLIER 'General case' 0 C--N 1.354 0.764 0 C-N-CA 126.141 1.777 . . . . 0.0 113.944 -177.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.698 ' N ' ' O ' ' A' ' 46' ' ' ASP . 94.8 mt-30 -57.02 -36.1 70.05 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.332 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -90.25 -76.91 0.42 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.096 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -98.85 122.24 41.84 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.264 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.01 -38.63 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.68 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 48.9 p30 -87.03 11.03 14.67 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -177.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.707 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -58.59 -27.83 65.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.548 HG21 ' HD3' ' A' ' 34' ' ' LYS . 69.4 t -56.17 -45.51 80.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.787 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.487 ' OD1' ' CE ' ' A' ' 30' ' ' LYS . 87.2 m-20 -63.37 -40.72 98.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.357 0.599 . . . . 0.0 110.493 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -60.98 -41.78 97.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.858 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.8 m -75.98 -38.71 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 C-N-CA 119.315 -0.954 . . . . 0.0 111.928 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.538 ' SD ' ' C ' ' A' ' 58' ' ' MET . 1.8 ppp? -63.07 -36.86 84.98 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.567 -0.853 . . . . 0.0 110.271 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -58.58 -40.97 84.65 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.508 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -65.04 -38.01 89.46 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.863 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.502 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 72.8 mt -66.99 -37.48 84.29 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.144 0.497 . . . . 0.0 110.495 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.85 32.94 1.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.026 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.65 -34.19 57.77 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.444 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.552 HD21 ' CG ' ' A' ' 66' ' ' ASP . 36.7 p-10 -58.71 -28.5 65.87 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.8 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.72 7.0 63.37 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.177 178.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.674 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.2 p30 -60.87 -35.15 75.85 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.734 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.674 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 93.23 -9.23 75.01 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -114.55 144.2 43.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.38 126.66 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.968 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -92.46 132.8 36.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.933 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.588 ' O ' HG23 ' A' ' 75' ' ' VAL . 86.1 t80 -50.38 -38.43 42.5 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.731 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.69 -40.5 88.08 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.561 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.502 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 99.7 mt-10 -67.29 -39.7 86.03 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.352 0.596 . . . . 0.0 110.287 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.411 ' CE2' HG21 ' A' ' 78' ' ' VAL . 81.9 t80 -63.94 -43.01 97.12 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.583 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.992 HG12 ' HB1' ' B' ' 79' ' ' ALA . 70.9 t -60.3 -42.34 90.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.031 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.0 -43.51 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.344 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.49 HD22 HD21 ' A' ' 61' ' ' LEU . 30.1 tp -63.34 -39.76 95.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.278 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 82' ' ' THR . 55.9 t -60.35 -38.75 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.301 -0.559 . . . . 0.0 111.805 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 1.01 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -59.75 -39.62 85.4 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.53 -45.94 60.95 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.068 -0.653 . . . . 0.0 112.225 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -67.32 -37.57 83.55 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -178.749 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.558 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.4 t -56.47 -41.47 76.63 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.97 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.81 -41.21 89.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.06 -31.23 72.34 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.412 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -54.82 -35.7 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.06 -179.633 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.584 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 18.7 t-20 -56.28 -36.93 69.17 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.235 0.54 . . . . 0.0 110.293 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -53.16 -36.44 60.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -59.33 -43.3 92.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -59.01 -44.7 91.73 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.702 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.584 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 86.5 m95 -58.35 -34.68 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.584 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -61.49 -32.34 72.36 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.827 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -55.13 -34.44 63.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.768 0.318 . . . . 0.0 110.581 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.552 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -69.63 161.88 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.467 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -62.26 -34.29 76.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.756 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.469 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 35.1 tp -57.92 -40.88 81.47 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.217 -177.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -60.94 -40.81 94.69 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.033 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.6 m -65.57 -38.1 88.56 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.959 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.532 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -62.94 -46.58 87.08 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.281 -178.009 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.7 mtm -59.33 -41.24 88.65 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 118.764 -1.175 . . . . 0.0 109.555 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 97.8 mt-10 -67.43 -38.33 84.39 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.331 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.59 ' O ' HG23 ' B' ' 14' ' ' VAL . 42.6 m -63.47 -45.49 90.54 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.173 -0.611 . . . . 0.0 111.402 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.693 HD11 HD11 ' A' ' 11' ' ' LEU . 84.7 mt -62.43 -49.11 76.75 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 119.918 -0.713 . . . . 0.0 111.379 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.7 mt -62.25 -43.04 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.736 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 89.5 m-20 -61.26 -39.52 90.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.018 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 10' ' ' THR . 69.3 t -67.73 -49.42 69.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.776 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.437 ' HD1' HD13 ' B' ' 36' ' ' LEU . 65.7 m-85 -66.48 -44.69 81.97 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.779 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.68 -40.43 94.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.101 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.66 -52.56 62.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.915 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -66.13 -40.72 90.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.932 0.396 . . . . 0.0 111.707 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 12.4 t -58.19 -37.66 75.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.166 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.67 -32.05 72.89 Favored Glycine 0 CA--C 1.521 0.454 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.483 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -57.31 -38.22 73.68 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.866 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.511 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -136.41 145.81 45.72 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.297 0.57 . . . . 0.0 111.989 179.325 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.48 -145.55 44.8 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-N 115.495 -0.775 . . . . 0.0 113.057 177.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -83.02 133.41 35.09 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 114.604 -0.798 . . . . 0.0 111.062 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.18 -39.95 73.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.76 0.79 . . . . 0.0 110.545 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.504 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 63.1 m-85 -71.84 -22.59 61.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.214 -1.357 . . . . 0.0 113.86 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -112.67 142.62 45.06 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.9 mt -102.95 135.7 44.14 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.002 -1.453 . . . . 0.0 107.739 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 45.9 t -100.52 159.86 14.82 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.488 ' CE ' ' OD1' ' B' ' 55' ' ' ASP . 63.7 tttm -50.09 -40.04 44.42 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 118.764 -1.174 . . . . 0.0 109.113 -177.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -62.0 -50.32 72.51 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.969 -0.693 . . . . 0.0 112.105 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.511 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.7 mt-10 -63.5 -40.77 97.95 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.652 -175.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.67 -40.44 96.82 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.636 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.556 ' HD3' HG21 ' B' ' 54' ' ' VAL . 0.3 OUTLIER -60.28 -45.31 93.79 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.245 177.77 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.829 ' O ' HG22 ' B' ' 39' ' ' THR . 78.3 mm-40 -68.24 -38.58 81.96 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 119.643 -0.823 . . . . 0.0 112.159 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.437 HD13 ' HD1' ' B' ' 15' ' ' PHE . 26.7 mt -62.32 -51.65 66.83 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.763 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' B' ' 42' ' ' SER . 61.2 mt -70.24 -43.18 71.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 119.307 -0.957 . . . . 0.0 111.137 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.509 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.8 tt0 -57.8 -41.21 81.69 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.983 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.829 HG22 ' O ' ' B' ' 35' ' ' GLU . 13.5 t -82.03 -32.51 30.44 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.782 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.758 ' HG3' HG23 ' B' ' 39' ' ' THR . 96.3 mt-10 -109.92 -45.06 3.69 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 -177.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 52.2 mt -131.88 0.66 3.9 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.661 ' O ' ' N ' ' B' ' 46' ' ' ASP . 22.8 t -53.48 -43.17 67.99 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 117.405 -1.718 . . . . 0.0 110.749 -174.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.48 -37.99 69.28 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 119.125 -1.512 . . . . 0.0 110.664 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -56.29 -39.62 72.99 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 35.8 mt -91.74 -72.7 0.57 Allowed 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.494 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.71 ' O ' ' N ' ' B' ' 48' ' ' GLN . 84.5 m-20 -109.39 -112.55 0.31 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.513 ' HB2' ' OG ' ' B' ' 42' ' ' SER . . . 31.08 -59.6 0.0 OUTLIER 'General case' 0 C--N 1.354 0.783 0 CA-C-N 113.281 -1.781 . . . . 0.0 114.015 -177.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.71 ' N ' ' O ' ' B' ' 46' ' ' ASP . 94.8 mt-30 -57.03 -35.96 69.91 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.62 -0.832 . . . . 0.0 110.395 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -90.36 -76.96 0.42 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.021 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -98.8 122.23 41.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.283 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.81 -38.89 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.725 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.435 ' OD1' ' C ' ' B' ' 52' ' ' ASP . 49.1 p30 -86.99 11.2 14.17 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -177.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.708 ' HB1' ' OD2' ' B' ' 46' ' ' ASP . . . -58.76 -27.71 65.23 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.556 HG21 ' HD3' ' B' ' 34' ' ' LYS . 70.8 t -56.32 -45.34 81.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.739 -178.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.488 ' OD1' ' CE ' ' B' ' 30' ' ' LYS . 87.2 m-20 -63.4 -40.77 98.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.392 0.615 . . . . 0.0 110.471 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -60.99 -41.78 97.12 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.865 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 23.0 m -76.03 -38.64 35.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 C-N-CA 119.291 -0.963 . . . . 0.0 111.863 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.533 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -63.03 -36.94 85.23 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.241 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -58.56 -40.93 84.46 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.522 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.19 -37.88 88.72 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.871 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.51 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 73.4 mt -67.0 -37.51 84.32 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.205 0.526 . . . . 0.0 110.492 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.88 32.89 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.052 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.54 -34.27 57.62 Favored 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.46 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.541 HD21 ' CG ' ' B' ' 66' ' ' ASP . 36.6 p-10 -58.71 -28.5 65.88 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.783 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.69 7.0 63.43 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.172 178.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.673 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.2 p30 -60.94 -35.03 75.67 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.709 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.673 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 93.25 -9.24 74.94 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -114.53 144.03 44.02 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.2 t -102.22 126.51 56.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.023 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -92.36 132.87 36.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.967 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.593 ' O ' HG23 ' B' ' 75' ' ' VAL . 86.3 t80 -50.37 -38.47 42.59 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.735 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.66 -40.43 87.7 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.582 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.51 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 99.7 mt-10 -67.35 -39.71 85.77 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.385 0.612 . . . . 0.0 110.252 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.411 ' CE2' HG21 ' B' ' 78' ' ' VAL . 81.8 t80 -63.97 -42.98 97.1 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.609 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 1.01 HG12 ' HB1' ' A' ' 79' ' ' ALA . 71.2 t -60.32 -42.35 90.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.059 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 78.8 t -61.95 -43.54 97.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 119.874 -0.731 . . . . 0.0 110.286 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.485 HD22 HD21 ' B' ' 61' ' ' LEU . 30.2 tp -63.31 -39.77 95.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.259 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.537 ' O ' HG22 ' B' ' 82' ' ' THR . 55.8 t -60.39 -38.72 78.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.894 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.992 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -59.7 -39.68 85.42 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.48 -46.0 61.02 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.201 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.563 ' N ' ' CD2' ' B' ' 81' ' ' LEU . 0.7 OUTLIER -67.26 -37.55 83.67 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.558 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.4 t -56.46 -41.55 76.71 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.95 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.79 -41.26 89.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.96 -31.3 72.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.454 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -54.83 -35.64 64.16 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.051 -179.592 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.584 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 18.8 t-20 -56.4 -36.86 69.38 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.17 0.51 . . . . 0.0 110.228 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -53.17 -36.44 60.9 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -59.35 -43.28 92.8 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.08 -44.76 91.93 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.609 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.584 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 86.6 m95 -58.18 -34.78 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.609 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.44 -32.36 72.33 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.821 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -55.09 -34.49 63.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.777 0.322 . . . . 0.0 110.616 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.539 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.523 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 29.9 t -118.23 136.66 53.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.616 0.246 . . . . 0.0 111.271 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.3 -36.39 83.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.79 -40.19 87.48 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.847 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.4 -40.43 94.34 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.9 m -64.73 -39.32 93.44 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.386 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.46 -48.52 72.39 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.0 mtm -58.19 -40.51 81.71 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 118.697 -1.201 . . . . 0.0 109.146 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.432 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 97.9 mt-10 -66.77 -36.66 82.94 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.428 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.41 ' O ' HG13 ' A' ' 14' ' ' VAL . 48.0 m -61.82 -42.88 99.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.211 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.61 -44.57 96.15 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.627 0.727 . . . . 0.0 110.558 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.92 -42.46 88.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.876 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 23.3 m120 -60.84 -40.5 93.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.244 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 10' ' ' THR . 21.1 m -75.57 -37.16 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.878 178.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.608 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 2.4 t80 -63.13 -50.1 71.77 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.515 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.85 -42.24 98.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.28 -41.6 99.0 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -177.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.694 ' HB2' HD21 ' A' ' 36' ' ' LEU . 97.3 m-70 -93.54 -28.69 15.92 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -178.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.4 p -61.95 -29.6 70.34 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.392 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.05 -27.62 62.67 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-N 115.3 -0.864 . . . . 0.0 114.227 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 22' ' ' GLU . 12.8 ptpt -57.75 -44.09 85.87 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -175.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.569 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 96.4 mt-10 -147.42 160.96 41.97 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 40.44 112.22 0.0 OUTLIER Glycine 0 CA--C 1.523 0.569 0 CA-C-N 114.758 -1.11 . . . . 0.0 113.36 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 33.13 112.24 0.0 OUTLIER 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.661 0.743 . . . . 0.0 112.511 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.62 -39.0 75.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.847 0.832 . . . . 0.0 109.791 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.59 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 3.1 m-30 -72.39 -24.1 61.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.067 -1.424 . . . . 0.0 112.758 -176.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -121.85 151.3 40.79 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.832 0.348 . . . . 0.0 111.565 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -90.48 140.03 30.12 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.384 0.611 . . . . 0.0 111.237 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 t -93.95 154.55 17.62 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 177.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -54.23 -39.07 66.42 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 118.764 -1.175 . . . . 0.0 109.451 -177.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -60.45 -49.48 77.39 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.406 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.569 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.0 mt-10 -63.0 -39.09 93.7 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.856 -0.738 . . . . 0.0 110.425 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.46 -41.83 99.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 114.735 -1.121 . . . . 0.0 109.408 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.605 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -61.16 -46.31 91.03 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.516 177.487 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -67.78 -37.25 81.8 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.903 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 18' ' ' HIS . 60.5 mt -65.72 -46.53 78.6 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.941 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.454 HD21 ' OH ' ' A' ' 74' ' ' TYR . 67.8 mt -71.28 -46.24 61.31 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.411 -0.916 . . . . 0.0 111.368 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.605 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 64.4 tt0 -63.34 -42.71 98.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.748 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -81.67 -45.32 15.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.505 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 73.6 mm-40 -71.9 -35.92 69.85 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.928 -178.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.2 mt -124.66 65.94 1.09 Allowed 'General case' 0 C--O 1.24 0.576 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.309 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.1 p -58.82 -25.46 63.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.847 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.1 -70.05 1.33 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.809 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -58.83 -41.94 88.08 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -90.53 -4.13 57.13 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.862 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.52 ' C ' ' O ' ' A' ' 45' ' ' LEU . 21.6 t70 -26.68 87.54 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.422 0.63 . . . . 0.0 111.058 -178.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.588 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -66.05 -17.21 64.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.85 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -54.63 -36.06 64.12 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.526 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 88.3 mttt -59.66 -39.28 83.88 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.108 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.526 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.1 m-20 -142.83 87.84 2.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.071 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.47 -44.76 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.268 0.556 . . . . 0.0 111.331 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -60.02 -33.08 71.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.929 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.16 -27.68 62.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.044 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.419 ' O ' HG22 ' A' ' 57' ' ' VAL . 53.9 t -55.29 -45.61 77.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 119.586 -0.845 . . . . 0.0 109.659 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.47 -39.05 93.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.541 0.686 . . . . 0.0 110.27 177.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.77 -41.56 91.34 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.302 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 54' ' ' VAL . 24.5 m -76.35 -37.58 31.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 C-N-CA 119.381 -0.928 . . . . 0.0 111.746 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.563 ' SD ' ' C ' ' A' ' 58' ' ' MET . 0.6 OUTLIER -61.03 -37.02 81.09 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.484 -0.887 . . . . 0.0 109.706 179.061 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -57.83 -40.55 80.31 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.0 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.35 -36.2 83.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.39 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.766 HD21 HD22 ' A' ' 77' ' ' LEU . 86.5 mt -65.99 -37.41 85.87 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.589 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 53.4 t0 -77.62 90.13 3.94 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.419 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.75 -38.67 89.75 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.318 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.405 ' ND2' ' HB3' ' A' ' 66' ' ' ASP . 43.6 p-10 -90.97 0.11 57.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.54 30.72 73.13 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.481 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.589 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 51.6 p30 -87.45 6.61 33.14 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.438 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 65.4 -7.96 0.82 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' A' ' 66' ' ' ASP . 84.5 tt0 -109.96 143.59 39.69 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.2 t -105.79 131.66 54.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.308 0.575 . . . . 0.0 109.893 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 54.8 t0 -98.23 147.46 24.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.516 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.608 ' CE1' ' CD2' ' A' ' 15' ' ' PHE . 81.2 t80 -51.31 -38.2 51.68 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -58.7 -39.67 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.11 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.46 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -67.52 -41.48 84.34 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.336 0.589 . . . . 0.0 110.639 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.454 ' OH ' HD21 ' A' ' 37' ' ' LEU . 89.4 t80 -64.99 -43.96 90.89 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.992 HG12 ' HB1' ' B' ' 79' ' ' ALA . 77.7 t -62.03 -40.98 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.878 -178.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.64 -45.14 99.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.998 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.766 HD22 HD21 ' A' ' 61' ' ' LEU . 27.7 tp -67.15 -40.91 86.76 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.1 p -57.8 -33.59 45.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 119.164 -1.015 . . . . 0.0 110.318 -178.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.971 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -60.2 -40.95 91.87 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.097 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.76 -40.36 76.14 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.283 -0.567 . . . . 0.0 111.085 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.41 -39.45 94.54 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.4 t -59.97 -40.84 90.49 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.225 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.9 -41.06 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.599 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.85 76.25 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.241 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -55.7 -37.68 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.566 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.586 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 18.7 t-20 -57.26 -39.4 75.53 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.172 0.51 . . . . 0.0 110.593 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -55.64 -36.8 67.41 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.594 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -60.83 -42.41 97.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.173 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -63.2 -44.25 95.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.666 178.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.586 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 84.7 m95 -59.74 -34.47 72.99 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.934 178.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.63 -33.8 68.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.884 0.374 . . . . 0.0 110.475 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -105.35 137.01 43.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.473 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.516 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.455 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 29.9 t -118.17 136.67 53.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.585 0.231 . . . . 0.0 111.27 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.2 -36.54 84.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 34.7 tp -59.64 -40.31 87.24 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.908 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.31 -40.48 94.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.9 m -64.62 -39.41 93.65 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.422 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.41 -48.47 72.7 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.1 mtm -58.24 -40.45 81.77 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 118.626 -1.23 . . . . 0.0 109.229 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.435 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 97.9 mt-10 -66.76 -36.74 83.13 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.425 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.418 ' O ' HG13 ' B' ' 14' ' ' VAL . 46.6 m -61.65 -42.99 99.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.248 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.56 -44.57 96.01 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.588 0.709 . . . . 0.0 110.656 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.86 -42.45 89.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.957 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 23.3 m120 -60.91 -40.41 93.03 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.268 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.418 HG13 ' O ' ' B' ' 10' ' ' THR . 21.2 m -75.6 -37.17 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.907 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.603 ' CD2' ' CE1' ' B' ' 71' ' ' PHE . 2.4 t80 -63.05 -50.11 71.9 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.478 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.93 -42.2 98.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.62 98.98 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -177.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.684 ' HB2' HD21 ' B' ' 36' ' ' LEU . 97.4 m-70 -93.51 -28.68 15.93 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -178.05 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.8 p -61.92 -29.58 70.31 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.382 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.16 -27.48 62.74 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 115.295 -0.866 . . . . 0.0 114.245 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' B' ' 22' ' ' GLU . 12.8 ptpt -57.89 -44.04 86.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -175.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.56 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 96.4 mt-10 -147.38 160.9 42.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -179.025 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 40.53 112.19 0.0 OUTLIER Glycine 0 CA--C 1.523 0.538 0 CA-C-N 114.775 -1.102 . . . . 0.0 113.283 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 33.15 112.15 0.0 OUTLIER 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.673 0.749 . . . . 0.0 112.567 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -57.49 -39.1 75.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.796 0.808 . . . . 0.0 109.81 179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 3.1 m-30 -72.37 -24.1 61.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.019 -1.446 . . . . 0.0 112.774 -176.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -121.88 151.36 40.77 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.816 0.341 . . . . 0.0 111.574 -178.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -90.49 140.09 30.06 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.448 0.642 . . . . 0.0 111.237 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.5 t -93.99 154.58 17.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -54.29 -38.96 66.5 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.476 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -60.33 -49.64 76.78 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.404 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.56 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.1 mt-10 -63.0 -39.08 93.68 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.669 0.747 . . . . 0.0 110.506 -176.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.39 -41.92 99.02 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.431 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.588 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.9 OUTLIER -61.12 -46.32 91.05 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.512 177.485 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.479 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -67.9 -37.16 81.39 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.771 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.684 HD21 ' HB2' ' B' ' 18' ' ' HIS . 60.7 mt -65.77 -46.45 78.71 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.995 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.455 HD21 ' OH ' ' B' ' 74' ' ' TYR . 67.9 mt -71.29 -46.2 61.35 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.474 -0.89 . . . . 0.0 111.402 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.588 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.3 tt0 -63.31 -42.76 99.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.761 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.479 HG22 ' O ' ' B' ' 35' ' ' GLU . 1.0 OUTLIER -81.71 -45.25 15.95 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.422 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.523 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 73.6 mm-40 -71.98 -35.88 69.65 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 118.956 -1.098 . . . . 0.0 110.861 -178.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 74.3 mt -124.7 65.99 1.1 Allowed 'General case' 0 C--O 1.239 0.534 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.324 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -58.83 -25.4 63.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.921 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.11 -69.97 1.33 Allowed Glycine 0 CA--C 1.53 1.0 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.866 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -58.97 -41.79 88.4 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.6 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.7 OUTLIER -90.66 -4.1 57.03 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' B' ' 45' ' ' LEU . 21.8 t70 -26.76 87.68 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.506 0.67 . . . . 0.0 110.975 -178.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -66.08 -17.28 64.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.8 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -54.56 -36.16 64.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.521 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 88.3 mttt -59.64 -39.24 83.71 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.136 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.521 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.0 m-20 -142.82 87.87 2.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.155 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.6 -44.66 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.3 0.572 . . . . 0.0 111.317 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.02 -33.15 71.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.931 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.19 -27.59 62.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.404 . . . . 0.0 112.04 -178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.421 ' O ' HG22 ' B' ' 57' ' ' VAL . 53.9 t -55.28 -45.62 77.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.652 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.5 -39.03 93.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.529 0.681 . . . . 0.0 110.217 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.92 -41.41 91.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.318 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.421 HG22 ' O ' ' B' ' 54' ' ' VAL . 24.8 m -76.47 -37.39 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.71 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.564 ' C ' ' SD ' ' B' ' 58' ' ' MET . 0.6 OUTLIER -61.16 -36.97 81.22 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.421 -0.912 . . . . 0.0 109.719 179.048 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -57.79 -40.63 80.32 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 119.82 -0.752 . . . . 0.0 108.999 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.34 -36.17 83.21 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.468 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.775 HD21 HD22 ' B' ' 77' ' ' LEU . 86.5 mt -65.97 -37.36 85.78 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.59 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 53.4 t0 -77.72 90.31 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.326 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.94 -38.67 89.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.212 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 43.4 p-10 -90.94 0.23 57.57 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.47 30.68 73.26 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.464 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.59 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 51.5 p30 -87.38 6.69 32.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.486 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 65.38 -7.98 0.8 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.557 ' H ' ' C ' ' B' ' 66' ' ' ASP . 84.4 tt0 -109.94 143.68 39.55 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -105.83 131.62 54.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.294 0.569 . . . . 0.0 109.843 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 54.7 t0 -98.17 147.5 24.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.492 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.603 ' CE1' ' CD2' ' B' ' 15' ' ' PHE . 81.1 t80 -51.42 -38.12 51.98 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -58.73 -39.63 81.42 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.151 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.457 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 98.8 mt-10 -67.61 -41.46 83.97 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.326 0.584 . . . . 0.0 110.582 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.455 ' OH ' HD21 ' B' ' 37' ' ' LEU . 89.5 t80 -64.92 -44.1 90.61 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.971 HG12 ' HB1' ' A' ' 79' ' ' ALA . 77.8 t -61.97 -40.92 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.869 -178.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.75 -45.16 99.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.9 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.775 HD22 HD21 ' B' ' 61' ' ' LEU . 27.6 tp -67.07 -40.98 87.14 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.524 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.1 p -57.74 -33.76 46.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 C-N-CA 119.222 -0.991 . . . . 0.0 110.264 -178.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.992 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -60.01 -41.06 91.31 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.139 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.85 -40.26 75.89 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.014 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.9 mt -63.51 -39.35 94.2 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.542 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.4 t -60.03 -40.85 90.74 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 118.956 -1.098 . . . . 0.0 109.127 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.2 t -62.01 -40.94 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.86 76.32 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.264 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.542 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -55.67 -37.66 68.57 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.615 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.577 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 18.7 t-20 -57.35 -39.31 75.65 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.649 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -55.65 -36.82 67.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.592 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -60.84 -42.41 97.71 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.154 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -63.12 -44.34 95.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.661 178.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.577 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 84.8 m95 -59.72 -34.55 73.06 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.971 178.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.55 -33.86 68.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -105.26 137.01 43.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.51 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.498 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -125.35 156.62 38.43 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.968 0.413 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.88 -35.91 79.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.62 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.452 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 37.1 tp -58.79 -40.29 83.58 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.685 -178.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.19 -40.34 89.71 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.04 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -64.96 -39.17 93.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.234 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.62 87.66 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mtm -57.85 -40.86 81.13 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 118.378 -1.329 . . . . 0.0 108.746 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.456 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 98.5 mt-10 -67.57 -35.72 79.56 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.924 178.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.5 m -62.27 -44.24 96.99 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.789 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.402 ' O ' HG22 ' A' ' 14' ' ' VAL . 78.6 mt -59.76 -45.21 92.94 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.919 0.866 . . . . 0.0 110.301 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.68 -38.68 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.497 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 28.1 m-20 -60.8 -40.88 94.34 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 11' ' ' LEU . 35.3 m -74.95 -39.88 45.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 119.519 -0.872 . . . . 0.0 111.073 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.588 ' CD1' HD13 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -63.43 -53.46 51.87 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.461 0.648 . . . . 0.0 111.029 178.478 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -61.78 -44.48 96.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.977 -1.01 . . . . 0.0 113.401 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.31 -52.97 41.9 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 119.846 -0.741 . . . . 0.0 112.753 -177.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.459 ' CG ' HD21 ' A' ' 36' ' ' LEU . 98.4 m-70 -69.57 -47.06 64.87 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.499 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 78.8 p -63.58 -28.52 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.426 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.79 -34.45 82.53 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.802 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.78 -41.39 86.57 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.176 -0.609 . . . . 0.0 110.975 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -153.09 160.38 42.91 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.509 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.01 34.44 52.54 Favored Glycine 0 CA--C 1.525 0.657 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.154 177.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 61.14 137.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.35 0.595 . . . . 0.0 111.219 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -58.82 -34.71 71.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.706 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 74.5 m-85 -100.85 9.61 42.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -176.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.588 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 41.8 tptt -124.62 137.55 54.37 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.589 ' O ' ' O ' ' A' ' 69' ' ' VAL . 8.0 tp -105.96 126.61 52.39 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.6 t -103.15 155.17 18.6 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.892 -0.505 . . . . 0.0 112.129 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -54.01 -40.43 67.0 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.128 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -58.91 -47.98 83.07 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.379 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 98.9 mt-10 -62.84 -41.57 99.39 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.578 -177.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.51 -40.9 98.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.068 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.707 ' HD3' HG11 ' A' ' 54' ' ' VAL . 9.0 tptp -61.48 -48.6 80.35 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.793 177.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.438 ' O ' HG22 ' A' ' 39' ' ' THR . 77.6 mm-40 -69.11 -38.98 79.2 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.518 -179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.459 HD21 ' CG ' ' A' ' 18' ' ' HIS . 89.5 mt -66.07 -47.12 75.31 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 119.701 -0.8 . . . . 0.0 112.19 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.552 HD21 ' OH ' ' A' ' 74' ' ' TYR . 50.5 mt -71.21 -44.56 65.16 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.385 -0.926 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -62.95 -42.0 99.68 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.487 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.457 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.2 t -83.06 -45.24 14.26 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.0 -0.68 . . . . 0.0 112.712 -178.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 39' ' ' THR . 95.4 mt-10 -71.68 -35.91 70.45 Favored 'General case' 0 CA--C 1.523 -0.067 0 C-N-CA 119.644 -0.822 . . . . 0.0 111.854 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 45' ' ' LEU . 61.5 mt -123.07 51.38 1.45 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.664 0.269 . . . . 0.0 110.49 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.9 p -57.9 -25.23 60.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.193 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.52 -69.64 1.35 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 121.101 -0.571 . . . . 0.0 111.742 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -58.51 -43.74 89.24 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.612 ' O ' ' N ' ' A' ' 47' ' ' ALA . 40.4 mt -93.09 -0.54 57.03 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.552 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 53.4 p30 -19.8 81.21 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 122.127 0.965 . . . . 0.0 112.183 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.612 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -64.07 -18.02 63.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.26 -1.336 . . . . 0.0 111.491 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -54.41 -34.54 61.54 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.44 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -58.89 -36.88 75.4 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.546 ' CG ' ' H ' ' A' ' 53' ' ' ALA . 63.8 t0 -142.57 96.71 2.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.048 -1.433 . . . . 0.0 111.168 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.405 ' O ' HG22 ' A' ' 54' ' ' VAL . 77.1 t -61.16 -40.53 86.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -60.7 -29.66 69.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.159 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.546 ' H ' ' CG ' ' A' ' 50' ' ' ASP . . . -52.77 -34.17 51.89 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.35 -0.54 . . . . 0.0 111.55 -176.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.707 HG11 ' HD3' ' A' ' 34' ' ' LYS . 4.2 m -60.0 -42.69 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 119.65 -0.82 . . . . 0.0 108.878 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.492 ' N ' HG23 ' A' ' 54' ' ' VAL . 56.0 t0 -64.38 -39.51 94.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.39 0.614 . . . . 0.0 110.281 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -60.18 -42.69 95.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.204 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.6 m -76.5 -36.27 28.03 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 C-N-CA 119.307 -0.957 . . . . 0.0 111.677 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.531 ' SD ' ' C ' ' A' ' 58' ' ' MET . 1.1 ppp? -62.39 -35.22 78.5 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.44 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -57.62 -40.84 80.09 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.948 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.9 -36.96 86.04 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.163 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.49 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 81.7 mt -66.5 -36.95 84.0 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.299 0.571 . . . . 0.0 110.375 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' OD1' HG22 ' A' ' 69' ' ' VAL . 99.4 m-20 -99.21 34.91 2.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.918 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -51.17 -30.3 16.38 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 121.425 0.631 . . . . 0.0 109.524 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.496 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 14.6 m120 -52.67 -34.25 51.0 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.598 -178.165 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.73 2.47 63.02 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 -178.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.694 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.9 p30 -61.83 -35.68 78.97 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 114.968 -0.616 . . . . 0.0 111.963 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.694 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 92.81 -6.97 77.15 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -119.3 148.49 43.11 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.589 ' O ' ' O ' ' A' ' 28' ' ' LEU . 43.6 t -110.32 133.99 53.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 CA-C-O 121.276 0.56 . . . . 0.0 111.653 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.588 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 87.4 m-20 -95.78 147.52 23.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.844 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.549 ' CZ ' ' CG1' ' A' ' 75' ' ' VAL . 87.5 t80 -53.61 -38.08 63.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.476 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.434 ' O ' HG22 ' A' ' 75' ' ' VAL . 63.1 tt0 -55.32 -40.65 71.41 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.098 -0.641 . . . . 0.0 109.513 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.496 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 98.9 mt-10 -67.17 -38.52 85.59 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.306 0.574 . . . . 0.0 109.941 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.83 ' O ' HG23 ' A' ' 78' ' ' VAL . 87.0 t80 -61.49 -43.61 98.55 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.667 ' HB ' ' HB1' ' B' ' 79' ' ' ALA . 35.1 m -67.2 -35.62 74.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.41 -46.53 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.237 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.411 ' HB2' HD21 ' A' ' 61' ' ' LEU . 31.3 tp -66.2 -38.95 89.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 74' ' ' TYR . 73.9 t -61.01 -41.11 87.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 C-N-CA 120.676 -0.409 . . . . 0.0 112.074 -178.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.672 ' HB1' ' HB ' ' B' ' 75' ' ' VAL . . . -62.2 -40.78 97.2 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.922 -178.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.96 -42.62 66.36 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.67 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -65.22 -41.93 93.93 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.868 -177.286 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 78' ' ' VAL . 1.2 t -58.71 -41.11 85.56 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.242 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.29 -41.85 91.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.48 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.27 71.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.547 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.553 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.7 OUTLIER -54.77 -35.83 64.22 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.593 -179.13 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.441 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 86.4 m-20 -56.71 -35.37 68.45 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.016 0.436 . . . . 0.0 110.273 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -53.7 -36.11 61.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.58 -43.22 93.69 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -59.73 -46.34 89.42 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.644 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -59.61 -35.25 73.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.008 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -58.66 -33.5 70.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.581 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -100.5 120.74 40.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.658 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.473 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 98.2 p -125.24 156.6 38.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.884 0.373 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.91 -35.92 79.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.677 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.445 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 37.1 tp -58.69 -40.43 83.6 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.598 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.15 -40.31 89.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.105 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -65.0 -39.14 93.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.249 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.68 87.66 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.5 mtm -57.88 -40.82 81.15 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 118.289 -1.364 . . . . 0.0 108.725 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 98.5 mt-10 -67.58 -35.79 79.68 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.897 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 55.9 m -62.09 -44.36 96.83 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.769 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.8 -45.14 93.24 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-O 121.858 0.837 . . . . 0.0 110.326 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.4 mt -66.64 -38.7 82.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.436 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.449 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 28.5 m-20 -60.9 -40.91 94.88 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.007 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 35.3 m -74.88 -39.87 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 119.612 -0.835 . . . . 0.0 111.133 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.578 ' CD1' HD13 ' B' ' 28' ' ' LEU . 0.8 OUTLIER -63.54 -53.37 52.9 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.33 0.585 . . . . 0.0 110.996 178.489 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -61.82 -44.47 96.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.977 -1.011 . . . . 0.0 113.4 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.28 -53.03 41.48 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.878 -0.729 . . . . 0.0 112.714 -177.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.459 ' CG ' HD21 ' B' ' 36' ' ' LEU . 98.4 m-70 -69.6 -47.0 65.0 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 78.7 p -63.63 -28.49 69.95 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.411 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.77 -34.49 82.63 Favored Glycine 0 CA--C 1.521 0.445 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.804 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.65 -41.42 86.03 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.029 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -153.15 160.36 42.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.447 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.17 34.3 52.05 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.178 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 61.11 138.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.34 0.591 . . . . 0.0 111.283 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -58.78 -34.77 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.73 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 75.1 m-85 -100.88 9.69 42.01 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.578 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 41.7 tptt -124.66 137.55 54.36 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.593 ' O ' ' O ' ' B' ' 69' ' ' VAL . 8.0 tp -105.99 126.55 52.33 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 30.6 t -103.13 155.15 18.61 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.909 -0.495 . . . . 0.0 112.092 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -54.07 -40.4 67.15 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.063 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -58.94 -47.94 83.28 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.377 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' B' ' 36' ' ' LEU . 98.9 mt-10 -62.85 -41.59 99.41 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.579 -177.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.48 -40.84 97.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.172 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.722 ' HD3' HG11 ' B' ' 54' ' ' VAL . 9.0 tptp -61.6 -48.54 80.46 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.758 177.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.454 ' O ' HG22 ' B' ' 39' ' ' THR . 77.6 mm-40 -69.15 -38.97 79.06 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 120.291 -0.564 . . . . 0.0 112.495 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.459 HD21 ' CG ' ' B' ' 18' ' ' HIS . 89.8 mt -66.09 -47.1 75.33 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 119.674 -0.811 . . . . 0.0 112.164 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.542 HD21 ' OH ' ' B' ' 74' ' ' TYR . 50.8 mt -71.16 -44.56 65.25 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.326 -0.949 . . . . 0.0 111.158 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -62.84 -42.11 99.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.514 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.2 t -83.0 -45.24 14.31 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.712 -178.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' B' ' 39' ' ' THR . 95.4 mt-10 -71.74 -35.79 70.24 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 119.594 -0.843 . . . . 0.0 111.852 -177.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.477 HD12 ' CD1' ' B' ' 45' ' ' LEU . 61.9 mt -123.15 51.37 1.46 Allowed 'General case' 0 C--O 1.235 0.324 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.436 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -57.83 -25.25 60.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.207 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.59 -69.59 1.35 Allowed Glycine 0 CA--C 1.531 1.065 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.738 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -58.5 -43.67 89.18 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.619 ' O ' ' N ' ' B' ' 47' ' ' ALA . 40.3 mt -93.19 -0.4 56.89 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.561 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 53.8 p30 -19.81 81.19 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 122.095 0.95 . . . . 0.0 112.211 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.619 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -64.13 -18.0 64.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.412 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.29 -34.67 61.42 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.503 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -58.79 -36.97 75.32 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.55 ' CG ' ' H ' ' B' ' 53' ' ' ALA . 63.7 t0 -142.53 96.82 3.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.053 -1.43 . . . . 0.0 111.128 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.402 ' O ' HG22 ' B' ' 54' ' ' VAL . 78.0 t -61.27 -40.53 86.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -60.53 -29.83 69.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.579 -1.191 . . . . 0.0 112.265 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.55 ' H ' ' CG ' ' B' ' 50' ' ' ASP . . . -52.67 -34.11 50.34 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.58 -176.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.722 HG11 ' HD3' ' B' ' 34' ' ' LYS . 4.2 m -59.96 -42.84 90.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.492 ' N ' HG23 ' B' ' 54' ' ' VAL . 56.0 t0 -64.24 -39.58 94.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.506 0.67 . . . . 0.0 110.354 177.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -60.13 -42.6 95.16 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.306 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 20.9 m -76.56 -36.36 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 C-N-CA 119.371 -0.931 . . . . 0.0 111.592 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.531 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.1 ppp? -62.2 -35.34 78.56 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.433 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -57.56 -40.91 79.97 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.916 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.89 -36.97 86.06 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.206 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.489 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 81.6 mt -66.4 -36.95 84.14 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.379 0.609 . . . . 0.0 110.49 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.435 ' OD1' HG22 ' B' ' 69' ' ' VAL . 99.6 m-20 -99.26 34.96 2.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.963 -178.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -51.08 -30.32 15.61 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-O 121.422 0.63 . . . . 0.0 109.592 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.5 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 14.8 m120 -52.81 -34.19 52.57 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.559 -178.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.86 2.38 62.82 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 109.117 -1.593 . . . . 0.0 109.117 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.689 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.7 p30 -61.77 -35.73 78.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.04 -0.58 . . . . 0.0 112.011 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.689 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 92.78 -6.94 77.22 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -119.34 148.49 43.13 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.593 ' O ' ' O ' ' B' ' 28' ' ' LEU . 43.4 t -110.32 133.96 54.04 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-O 121.325 0.583 . . . . 0.0 111.638 -178.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.578 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 87.2 m-20 -95.79 147.47 23.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.876 178.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.55 ' CE2' ' CG1' ' B' ' 75' ' ' VAL . 87.6 t80 -53.53 -38.09 63.44 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.515 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG22 ' B' ' 75' ' ' VAL . 63.2 tt0 -55.37 -40.63 71.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.482 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.5 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.0 mt-10 -67.11 -38.54 85.82 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.325 0.583 . . . . 0.0 109.991 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.838 ' O ' HG23 ' B' ' 78' ' ' VAL . 87.0 t80 -61.44 -43.62 98.54 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.672 ' HB ' ' HB1' ' A' ' 79' ' ' ALA . 35.2 m -67.34 -35.53 73.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -178.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.44 -46.56 96.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.275 -0.97 . . . . 0.0 110.248 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.42 ' HB2' HD21 ' B' ' 61' ' ' LEU . 31.4 tp -66.18 -38.87 89.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.979 178.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.838 HG23 ' O ' ' B' ' 74' ' ' TYR . 73.0 t -60.99 -41.21 88.23 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 C-N-CA 120.615 -0.434 . . . . 0.0 112.051 -178.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.667 ' HB1' ' HB ' ' A' ' 75' ' ' VAL . . . -62.11 -40.73 96.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.997 -178.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.03 -42.5 66.26 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.675 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.48 HD13 ' O ' ' B' ' 81' ' ' LEU . 0.1 OUTLIER -65.3 -41.9 93.62 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.843 -177.246 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.699 HG22 ' O ' ' B' ' 78' ' ' VAL . 1.2 t -58.78 -41.1 85.87 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.216 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.23 -41.95 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.505 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.34 71.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.54 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.566 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.7 OUTLIER -54.64 -35.89 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.669 -179.168 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.451 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 86.3 m-20 -56.7 -35.34 68.39 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.997 0.427 . . . . 0.0 110.299 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -53.68 -36.21 61.92 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -59.45 -43.27 93.21 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.66 -46.33 89.35 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.738 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -59.61 -35.17 73.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.018 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -58.65 -33.57 70.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.6 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -100.51 120.84 40.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.632 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 32.4 m . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.502 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 p -69.55 162.12 28.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.689 0.28 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.86 -36.08 80.17 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.999 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.507 HD22 ' OE1' ' B' ' 40' ' ' GLU . 34.9 tp -59.18 -40.3 85.24 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.827 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.36 -38.62 87.64 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.3 m -65.03 -41.03 95.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.574 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.03 -50.09 65.41 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 ppp? -57.36 -42.39 81.95 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.179 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -64.81 -37.22 86.87 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.573 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.1 m -60.54 -41.68 94.97 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.734 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 14' ' ' VAL . 83.7 mt -57.17 -44.31 83.41 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 122.034 0.921 . . . . 0.0 109.547 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.451 HD13 HD21 ' B' ' 86' ' ' ASN . 76.7 mt -66.44 -39.26 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.529 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -59.73 -40.91 89.63 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.339 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 11' ' ' LEU . 34.9 m -74.42 -36.24 41.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.068 0 C-N-CA 119.944 -0.703 . . . . 0.0 109.783 178.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.694 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 91.4 t80 -58.79 -50.07 75.33 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.28 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.47 -45.29 94.89 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.87 -53.2 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -177.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.551 ' CB ' HD21 ' A' ' 36' ' ' LEU . 98.1 m-70 -68.34 -46.51 69.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 94.0 p -61.86 -32.03 72.35 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.325 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.78 -31.31 77.69 Favored Glycine 0 CA--C 1.522 0.509 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.071 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.417 ' NZ ' ' HA ' ' A' ' 18' ' ' HIS . 63.9 mttp -57.16 -38.54 73.72 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -177.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -135.92 147.95 48.33 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.829 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.33 -137.17 49.79 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.091 -0.958 . . . . 0.0 112.997 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -81.09 132.13 35.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.65 -0.775 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' O ' ' OG ' ' A' ' 19' ' ' SER . 63.8 mttp -56.25 -32.29 64.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.377 -178.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 76.6 m-85 -103.02 11.65 37.02 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -176.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.609 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 6.8 tptt -134.11 137.74 44.77 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.473 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.9 mt -95.36 139.61 31.41 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.43 0.633 . . . . 0.0 110.797 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -103.15 159.35 15.61 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -52.07 -38.86 58.54 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.673 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -61.57 -50.38 72.86 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.119 -0.633 . . . . 0.0 112.022 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.18 -41.11 99.16 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.202 -176.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.16 -41.34 99.24 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.629 -1.169 . . . . 0.0 109.363 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.606 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 2.2 tptp -60.21 -46.08 90.98 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.053 178.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 39' ' ' THR . 77.8 mm-40 -68.07 -38.51 82.48 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.962 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.551 HD21 ' CB ' ' A' ' 18' ' ' HIS . 92.8 mt -65.51 -47.16 76.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 119.464 -0.894 . . . . 0.0 112.582 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.598 HD11 ' CE1' ' A' ' 74' ' ' TYR . 7.9 mp -71.14 -43.84 66.75 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.161 -1.016 . . . . 0.0 111.55 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.606 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.9 tt0 -62.87 -41.66 99.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.6 t -83.45 -45.92 13.08 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.742 -178.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.537 ' C ' HD12 ' A' ' 41' ' ' LEU . 95.8 mt-10 -72.43 -34.09 67.55 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 119.953 -0.699 . . . . 0.0 111.843 -178.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 41' ' ' LEU . 6.9 mp -118.23 37.25 4.06 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.0 t -53.38 -35.52 60.43 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.34 -178.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.66 -57.31 5.5 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.648 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -64.52 -46.59 82.28 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 46' ' ' ASP . 7.1 mp -91.78 -0.48 57.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' A' ' 45' ' ' LEU . 55.9 t0 -24.21 130.92 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.752 0.787 . . . . 0.0 111.878 -177.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.541 ' O ' HG22 ' A' ' 51' ' ' VAL . . . -65.99 -17.54 64.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.341 -1.299 . . . . 0.0 111.884 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -54.47 -34.3 61.27 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.787 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -120.47 143.26 48.61 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 56.52 50.42 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.35 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 47' ' ' ALA . 49.2 t -51.69 -39.59 24.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.633 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -77.25 7.11 5.54 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.473 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.57 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.43 -33.66 69.93 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.612 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.6 t -59.98 -46.02 94.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.341 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.54 -43.89 97.68 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.41 0.624 . . . . 0.0 110.597 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HZ3' ' HA ' ' A' ' 53' ' ' ALA . 16.2 mtmm -62.78 -40.3 96.88 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.404 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 53' ' ' ALA . 73.1 t -66.33 -46.66 86.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.079 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.517 ' SD ' ' C ' ' A' ' 58' ' ' MET . 2.6 ppp? -67.67 -36.81 81.39 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.667 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -59.24 -43.15 92.4 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.566 -0.454 . . . . 0.0 112.035 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.65 -38.39 89.21 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.756 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.498 ' HB3' HG13 ' A' ' 69' ' ' VAL . 96.1 mt -67.6 -35.9 79.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.756 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -95.41 34.74 1.4 Allowed 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -51.05 -30.4 15.51 Favored 'General case' 0 CA--C 1.5 -0.973 0 CA-C-O 121.51 0.671 . . . . 0.0 109.204 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.529 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 12.9 m120 -53.03 -33.73 53.17 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.38 -178.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.97 2.57 60.94 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.699 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.5 p30 -61.62 -35.7 78.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.955 -0.623 . . . . 0.0 111.757 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.699 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.27 -13.25 67.69 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -122.05 151.21 41.1 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 61' ' ' LEU . 61.4 t -101.55 132.39 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -177.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.609 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 84.7 m-20 -82.7 144.29 30.33 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.287 177.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.694 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 84.3 t80 -55.35 -41.36 72.42 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.763 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.43 -41.63 85.47 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.555 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.529 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.2 mt-10 -66.42 -39.95 89.24 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.978 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.598 ' CE1' HD11 ' A' ' 37' ' ' LEU . 56.2 t80 -64.5 -42.12 96.02 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 1.033 HG12 ' HB1' ' B' ' 79' ' ' ALA . 89.9 t -60.43 -40.22 83.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.249 -178.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.0 t -64.14 -45.85 95.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.577 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.475 ' HB2' HD21 ' A' ' 61' ' ' LEU . 32.3 tp -66.86 -41.14 87.8 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.9 p -58.79 -33.59 49.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.068 -178.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 1.039 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -59.81 -40.0 86.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.03 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.76 77.05 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.792 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.53 -39.28 94.01 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 112.629 0.604 . . . . 0.0 112.629 -178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -62.3 -42.62 99.51 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 119.12 -1.032 . . . . 0.0 110.181 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.1 t -63.82 -41.8 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.149 0.499 . . . . 0.0 109.881 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.25 73.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.055 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 74.4 m -54.75 -39.97 68.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.852 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.445 HD21 HD13 ' B' ' 12' ' ' ILE . 22.8 m120 -59.53 -36.26 75.77 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.729 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -53.36 -40.58 65.04 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.369 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -63.62 -37.6 87.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.867 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.524 ' O ' ' OD1' ' A' ' 92' ' ' ASN . 61.0 t80 -59.04 -45.88 89.63 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.208 0.528 . . . . 0.0 109.827 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -59.18 -31.95 69.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.613 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -55.65 -32.88 63.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.575 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.524 ' OD1' ' O ' ' A' ' 89' ' ' PHE . 27.3 p-10 -84.24 6.3 23.28 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.495 -179.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.484 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.683 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p -69.57 162.09 28.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.731 0.3 . . . . 0.0 110.58 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.99 -36.01 80.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.919 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.504 HD22 ' OE1' ' A' ' 40' ' ' GLU . 35.1 tp -59.18 -40.28 85.17 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.86 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.35 -38.65 87.71 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.308 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.1 m -64.97 -41.01 95.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.592 178.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.03 -50.11 65.34 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' B' ' 9' ' ' GLU . 1.3 ppp? -57.28 -42.46 81.7 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.221 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.4 ' N ' ' SD ' ' B' ' 8' ' ' MET . 83.9 tt0 -64.86 -37.13 86.58 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.563 178.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.8 m -60.62 -41.62 95.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.762 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.447 ' O ' HG22 ' B' ' 14' ' ' VAL . 83.6 mt -57.11 -44.39 83.19 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 122.035 0.922 . . . . 0.0 109.557 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.445 HD13 HD21 ' A' ' 86' ' ' ASN . 76.5 mt -66.42 -39.27 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.483 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -59.8 -40.8 89.58 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.392 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.447 HG22 ' O ' ' B' ' 11' ' ' LEU . 35.0 m -74.49 -36.3 41.26 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.057 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.707 178.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.692 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 91.5 t80 -58.83 -50.0 75.61 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.225 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.54 -45.29 94.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.84 -53.15 23.05 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.554 ' CB ' HD21 ' B' ' 36' ' ' LEU . 98.1 m-70 -68.37 -46.53 69.82 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 94.5 p -61.89 -31.97 72.31 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.348 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.86 -31.14 77.27 Favored Glycine 0 CA--C 1.523 0.59 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.075 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' B' ' 18' ' ' HIS . 64.0 mttp -57.29 -38.52 74.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -135.91 147.97 48.36 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.835 0.679 . . . . 0.0 112.835 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.28 -137.21 49.69 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 115.033 -0.985 . . . . 0.0 113.008 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -81.11 132.1 35.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 114.604 -0.798 . . . . 0.0 110.84 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.45 ' O ' ' OG ' ' B' ' 19' ' ' SER . 63.8 mttp -56.21 -32.28 64.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.377 -178.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 76.9 m-85 -103.08 11.67 36.89 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -176.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.581 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 6.8 tptt -134.17 137.78 44.69 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.403 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 85.1 mt -95.37 139.57 31.47 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.419 0.628 . . . . 0.0 110.779 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.2 m -103.12 159.3 15.65 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -52.03 -38.78 58.14 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 118.767 -1.173 . . . . 0.0 108.783 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -61.66 -50.27 73.17 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.075 -0.65 . . . . 0.0 112.064 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.13 -41.17 99.26 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.19 -176.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.11 -41.45 99.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.344 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.608 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 2.2 tptp -60.21 -46.06 91.04 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.974 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.451 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -68.19 -38.44 81.98 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.898 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.554 HD21 ' CB ' ' B' ' 18' ' ' HIS . 92.9 mt -65.52 -47.18 76.84 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 119.467 -0.893 . . . . 0.0 112.591 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.595 HD11 ' CE1' ' B' ' 74' ' ' TYR . 7.9 mp -71.08 -43.9 66.8 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.226 -0.99 . . . . 0.0 111.516 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.608 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.0 tt0 -62.9 -41.64 99.5 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.6 t -83.45 -45.99 13.02 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.041 -0.664 . . . . 0.0 112.677 -178.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.532 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.8 mt-10 -72.46 -34.0 67.44 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.841 -178.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.555 HD12 ' N ' ' B' ' 41' ' ' LEU . 6.9 mp -118.16 37.05 4.12 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.0 t -53.27 -35.54 60.16 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.351 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.72 -57.25 5.49 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.675 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -64.44 -46.56 82.64 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -178.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' B' ' 46' ' ' ASP . 7.1 mp -91.9 -0.44 57.5 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' B' ' 45' ' ' LEU . 55.8 t0 -24.22 130.86 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.735 0.778 . . . . 0.0 111.954 -177.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.534 ' O ' HG22 ' B' ' 51' ' ' VAL . . . -65.91 -17.57 64.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.869 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -54.48 -34.29 61.3 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.751 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -120.43 143.22 48.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 56.53 50.53 12.75 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.285 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.534 HG22 ' O ' ' B' ' 47' ' ' ALA . 48.9 t -51.8 -39.48 24.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.691 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -77.19 7.04 5.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.504 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.566 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -58.35 -33.69 69.83 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.596 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.04 -46.05 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.282 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.54 -43.85 97.79 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.64 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.416 ' HZ3' ' HA ' ' B' ' 53' ' ' ALA . 16.2 mtmm -62.73 -40.42 97.13 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.365 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 53' ' ' ALA . 72.5 t -66.31 -46.58 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.187 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.512 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.6 ppp? -67.72 -36.83 81.32 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.666 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -59.13 -43.28 91.98 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.535 -0.466 . . . . 0.0 112.095 -178.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.48 -38.43 89.75 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.789 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.507 ' HB3' HG13 ' B' ' 69' ' ' VAL . 96.0 mt -67.59 -35.95 79.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.736 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -95.43 34.73 1.41 Allowed 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.95 -30.54 15.16 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.531 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 12.6 m120 -52.96 -33.63 52.08 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.489 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.95 2.48 61.01 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 108.849 -1.7 . . . . 0.0 108.849 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.688 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.4 p30 -61.61 -35.74 78.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.99 -0.605 . . . . 0.0 111.801 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.688 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.4 -13.26 67.63 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -122.07 151.17 41.16 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.507 HG13 ' HB3' ' B' ' 61' ' ' LEU . 61.2 t -101.6 132.37 47.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -177.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.581 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 84.8 m-20 -82.67 144.28 30.37 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.236 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.692 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 84.2 t80 -55.42 -41.31 72.6 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.757 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.41 -41.67 85.47 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.46 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.531 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.2 mt-10 -66.53 -39.89 88.85 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.916 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.595 ' CE1' HD11 ' B' ' 37' ' ' LEU . 56.4 t80 -64.44 -42.19 96.14 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 1.039 HG12 ' HB1' ' A' ' 79' ' ' ALA . 90.2 t -60.47 -40.17 83.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.211 -178.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 63.8 t -64.17 -45.74 95.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.609 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.49 ' HB2' HD21 ' B' ' 61' ' ' LEU . 32.4 tp -67.04 -41.06 87.16 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -178.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.476 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.9 p -58.78 -33.53 49.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.109 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 1.033 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -59.77 -40.07 87.01 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.012 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.42 -40.78 77.07 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.778 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.444 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 69.1 mt -63.54 -39.22 93.84 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -178.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -62.3 -42.68 99.56 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.21 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 94.9 t -63.87 -41.7 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.115 0.483 . . . . 0.0 109.892 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.29 73.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.04 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 74.7 m -54.81 -39.98 69.05 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.84 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.451 HD21 HD13 ' A' ' 12' ' ' ILE . 22.7 m120 -59.37 -36.39 75.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.721 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -53.32 -40.62 64.96 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.469 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -63.51 -37.63 88.05 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.948 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.527 ' O ' ' OD1' ' B' ' 92' ' ' ASN . 61.3 t80 -59.06 -45.89 89.64 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.159 0.504 . . . . 0.0 109.764 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -59.09 -32.12 69.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.565 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -55.57 -32.94 63.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.629 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.527 ' OD1' ' O ' ' B' ' 89' ' ' PHE . 27.2 p-10 -84.14 6.27 23.08 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.6 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.548 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.533 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 58.8 p -69.67 160.44 31.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.678 0.275 . . . . 0.0 110.647 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -63.19 -35.96 82.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.062 0.458 . . . . 0.0 110.36 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.528 HD23 ' C ' ' A' ' 4' ' ' LEU . 8.5 tt -60.08 -42.74 95.26 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.344 -177.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.51 -40.16 93.62 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 119.809 -0.756 . . . . 0.0 109.122 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.3 m -63.97 -38.11 89.89 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.338 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.24 96.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.315 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mtm -57.49 -41.26 80.37 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 117.851 -1.539 . . . . 0.0 108.857 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 98.4 mt-10 -68.47 -36.92 79.66 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.639 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.9 m -62.54 -44.24 96.84 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.401 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' O ' ' CD2' ' A' ' 15' ' ' PHE . 84.4 mt -59.9 -46.79 88.23 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.81 0.815 . . . . 0.0 110.391 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.438 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 81.0 mt -64.32 -39.73 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.308 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.448 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 26.8 m-20 -60.62 -40.49 92.08 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.361 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 15' ' ' PHE . 26.9 m -76.53 -47.41 29.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 119.407 -0.917 . . . . 0.0 112.481 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.433 ' N ' HG23 ' A' ' 14' ' ' VAL . 59.3 m-85 -66.32 -42.41 88.28 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 119.735 -0.786 . . . . 0.0 110.6 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 39.4 t-80 -61.29 -45.29 95.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.748 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.52 -52.0 36.84 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.617 ' HB2' HD11 ' A' ' 36' ' ' LEU . 37.5 m80 -62.47 -42.97 99.86 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.1 p -61.6 -30.99 71.04 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.02 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.36 -33.25 80.04 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -57.9 -38.55 76.02 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.207 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.499 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.3 mm-40 -131.66 148.42 52.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.933 0.397 . . . . 0.0 111.174 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.98 -162.6 2.39 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -71.59 143.86 49.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.848 0.356 . . . . 0.0 111.006 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -58.94 -39.94 83.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.766 0.794 . . . . 0.0 110.803 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.578 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 3.0 m-30 -72.18 -23.93 61.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.187 -1.369 . . . . 0.0 112.803 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -113.31 142.21 46.11 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 28' ' ' LEU . 83.7 mt -104.15 133.58 48.84 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 113.515 -1.675 . . . . 0.0 106.962 173.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.2 m -100.9 164.16 11.96 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.554 ' CE ' ' OD1' ' A' ' 55' ' ' ASP . 63.5 tttm -52.23 -42.57 63.7 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 118.713 -1.195 . . . . 0.0 110.09 -177.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.94 -49.39 76.34 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.864 -0.734 . . . . 0.0 112.003 177.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.499 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.8 mt-10 -62.45 -39.59 93.86 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.569 -175.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.426 HD21 HD12 ' A' ' 37' ' ' LEU . 9.3 tt -62.61 -40.49 97.13 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 114.475 -1.238 . . . . 0.0 109.308 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.601 ' HD3' HG21 ' A' ' 54' ' ' VAL . 7.4 tptp -60.61 -48.32 82.29 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.665 177.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.438 ' O ' HG22 ' A' ' 39' ' ' THR . 77.6 mm-40 -68.25 -37.04 80.36 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.884 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' A' ' 18' ' ' HIS . 1.5 mm? -67.65 -50.66 56.76 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.016 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.538 HD21 ' OH ' ' A' ' 74' ' ' TYR . 47.0 mt -69.41 -40.1 77.51 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 119.663 -0.815 . . . . 0.0 111.099 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' ' 34' ' ' LYS . 20.4 tt0 -63.13 -42.08 99.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.221 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 3.2 t -83.87 -44.54 14.18 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.155 -0.618 . . . . 0.0 112.426 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.579 ' C ' HD12 ' A' ' 41' ' ' LEU . 78.0 mm-40 -70.93 -34.78 71.84 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.284 -178.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.579 HD12 ' C ' ' A' ' 40' ' ' GLU . 7.0 mp -123.49 48.42 1.85 Allowed 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.291 179.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -57.14 -25.11 58.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.776 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.96 -68.72 1.29 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.461 ' CE1' ' HA ' ' A' ' 85' ' ' CYS . 75.0 t80 -57.94 -45.44 86.6 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -177.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 46' ' ' ASP . 71.9 mt -93.39 -0.72 56.44 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.534 ' C ' ' O ' ' A' ' 45' ' ' LEU . 58.4 t0 -25.94 118.02 0.07 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.358 0.599 . . . . 0.0 111.23 -178.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.39 -22.41 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.738 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -55.52 -35.28 65.46 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.488 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -59.38 -41.6 89.74 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.741 ' HB3' ' HB2' ' A' ' 53' ' ' ALA . 60.6 t0 -147.39 119.68 8.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.235 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.27 -40.49 89.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 48.9 p30 -89.77 9.11 28.55 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.741 ' HB2' ' HB3' ' A' ' 50' ' ' ASP . . . -60.7 -33.34 72.73 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.82 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.601 HG21 ' HD3' ' A' ' 34' ' ' LYS . 77.1 t -60.24 -44.78 96.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -177.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.554 ' OD1' ' CE ' ' A' ' 30' ' ' LYS . 83.8 m-20 -60.69 -43.43 97.74 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.755 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -63.05 -38.35 90.83 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.477 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 53' ' ' ALA . 60.0 t -64.01 -48.25 86.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.174 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.711 ' HA ' HD23 ' A' ' 61' ' ' LEU . 2.9 ppp? -74.58 -38.3 62.69 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-O 122.315 1.055 . . . . 0.0 113.308 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' N ' ' CG ' ' A' ' 58' ' ' MET . 54.6 tptt -63.0 -42.78 99.94 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 114.745 -1.116 . . . . 0.0 113.823 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.16 -32.44 72.71 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.026 HD11 HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -68.15 -39.34 82.65 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 110.604 -2.998 . . . . 0.0 111.424 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.481 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 52.6 t0 -82.61 92.25 7.1 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 118.93 -1.108 . . . . 0.0 110.92 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -67.41 -39.14 85.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.102 0.477 . . . . 0.0 112.121 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.486 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 23.4 m120 -59.02 -37.16 76.29 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.564 -0.743 . . . . 0.0 112.394 -177.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.37 4.99 80.05 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 107.665 -2.174 . . . . 0.0 107.665 -177.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.2 p30 -62.41 -32.44 73.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 113.773 -1.214 . . . . 0.0 112.594 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.662 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.94 -10.3 62.08 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.513 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 84.3 tt0 -112.25 140.85 46.62 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.026 HG13 HD11 ' A' ' 61' ' ' LEU . 69.4 t -102.66 131.28 51.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.688 0.756 . . . . 0.0 112.563 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -90.08 145.47 25.04 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.332 -1.304 . . . . 0.0 107.968 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.535 ' O ' HG13 ' A' ' 75' ' ' VAL . 72.6 t80 -54.43 -39.44 67.36 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.728 -0.789 . . . . 0.0 109.64 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.42 -39.7 88.36 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.289 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.486 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.5 mt-10 -68.4 -41.15 80.89 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.005 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.538 ' OH ' HD21 ' A' ' 37' ' ' LEU . 62.1 t80 -64.79 -43.34 93.54 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 71' ' ' PHE . 20.3 m -65.64 -35.9 76.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.863 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.457 HG13 HG13 ' B' ' 76' ' ' VAL . 68.3 t -61.64 -45.24 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.184 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.429 HD22 ' HB2' ' A' ' 61' ' ' LEU . 33.7 tp -65.19 -39.77 93.3 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.647 179.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.456 HG21 ' CE2' ' A' ' 74' ' ' TYR . 49.7 t -62.16 -38.17 80.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -56.01 -39.46 71.94 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.105 -177.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.1 -42.9 75.51 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.407 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.39 -38.02 89.58 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.557 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -60.09 -38.01 81.64 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 119.571 -0.852 . . . . 0.0 110.052 -179.445 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.03 -42.95 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -34.54 78.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.443 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.557 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -59.54 -33.15 71.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.286 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -54.87 -36.99 65.69 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.867 0.365 . . . . 0.0 110.806 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -52.87 -38.52 61.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.05 -42.84 91.26 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.18 -45.5 90.88 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.917 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -58.44 -34.8 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.134 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.45 -33.65 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.693 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -55.68 -34.6 65.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.648 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.596 -179.921 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.517 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 58.4 p -69.66 160.46 31.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.633 0.254 . . . . 0.0 110.726 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -63.19 -35.94 81.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.042 0.449 . . . . 0.0 110.375 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.522 ' C ' HD23 ' B' ' 4' ' ' LEU . 8.5 tt -60.09 -42.76 95.32 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.398 -177.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.55 -40.1 93.47 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.163 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.0 m -64.01 -38.09 89.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.348 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.24 96.14 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.242 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mtm -57.51 -41.2 80.33 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 117.866 -1.534 . . . . 0.0 108.845 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 98.4 mt-10 -68.5 -36.93 79.6 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.659 178.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.3 m -62.56 -44.26 96.78 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.394 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -59.84 -46.78 88.19 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.734 0.778 . . . . 0.0 110.434 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' B' ' 16' ' ' HIS . 80.7 mt -64.36 -39.68 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.379 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 26.9 m-20 -60.67 -40.44 92.09 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.364 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.431 HG23 ' N ' ' B' ' 15' ' ' PHE . 26.8 m -76.63 -47.31 29.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 119.367 -0.933 . . . . 0.0 112.454 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.431 ' N ' HG23 ' B' ' 14' ' ' VAL . 58.8 m-85 -66.37 -42.31 88.17 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.625 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.44 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 39.5 t-80 -61.36 -45.29 95.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.705 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.65 -51.89 37.14 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.634 ' HB2' HD11 ' B' ' 36' ' ' LEU . 37.4 m80 -62.44 -42.94 99.82 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 85.3 p -61.62 -30.96 71.04 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.012 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.44 -33.19 80.22 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.382 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -57.79 -38.59 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.168 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.506 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.2 mm-40 -131.77 148.47 52.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.943 0.401 . . . . 0.0 111.127 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.8 -162.52 2.31 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -71.58 143.8 49.73 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.474 -0.363 . . . . 0.0 111.057 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -58.79 -40.02 82.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.763 0.792 . . . . 0.0 110.784 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.589 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 3.0 m-30 -72.22 -23.87 61.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.257 -1.338 . . . . 0.0 112.779 -175.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -113.35 142.25 46.09 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 28' ' ' LEU . 84.1 mt -104.11 133.56 48.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 113.617 -1.629 . . . . 0.0 106.992 173.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 41.1 m -100.96 164.1 11.98 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.56 ' CE ' ' OD1' ' B' ' 55' ' ' ASP . 63.4 tttm -52.18 -42.61 63.59 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 118.728 -1.189 . . . . 0.0 110.07 -177.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.94 -49.37 76.42 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.987 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.506 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.8 mt-10 -62.48 -39.55 93.82 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.613 -175.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.437 HD21 HD12 ' B' ' 37' ' ' LEU . 9.3 tt -62.56 -40.54 97.17 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.334 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.581 ' HD3' HG21 ' B' ' 54' ' ' VAL . 7.4 tptp -60.56 -48.41 81.89 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.66 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.435 ' O ' HG22 ' B' ' 39' ' ' THR . 77.7 mm-40 -68.17 -37.05 80.55 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.114 -0.635 . . . . 0.0 111.911 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.634 HD11 ' HB2' ' B' ' 18' ' ' HIS . 1.5 mm? -67.65 -50.71 56.54 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.988 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.54 HD21 ' OH ' ' B' ' 74' ' ' TYR . 47.4 mt -69.37 -40.15 77.63 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.127 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.411 ' CB ' ' O ' ' B' ' 34' ' ' LYS . 20.3 tt0 -63.1 -42.01 99.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.189 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.482 HG23 ' N ' ' B' ' 40' ' ' GLU . 3.2 t -83.91 -44.61 14.07 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.146 -0.621 . . . . 0.0 112.415 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.575 ' C ' HD12 ' B' ' 41' ' ' LEU . 78.0 mm-40 -70.9 -34.75 71.88 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.319 -178.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.575 HD12 ' C ' ' B' ' 40' ' ' GLU . 6.9 mp -123.51 48.32 1.87 Allowed 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.354 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -56.98 -25.21 57.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.837 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.97 -68.66 1.29 Allowed Glycine 0 CA--C 1.531 1.088 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.456 ' CE1' ' HA ' ' B' ' 85' ' ' CYS . 75.1 t80 -57.98 -45.41 86.81 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.53 ' O ' ' C ' ' B' ' 46' ' ' ASP . 71.8 mt -93.29 -0.89 56.57 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.53 ' C ' ' O ' ' B' ' 45' ' ' LEU . 58.3 t0 -25.8 118.03 0.07 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.354 0.597 . . . . 0.0 111.287 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.43 -22.41 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.795 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -55.52 -35.33 65.51 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.582 -178.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -59.27 -41.71 89.5 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.73 ' HB3' ' HB2' ' B' ' 53' ' ' ALA . 60.6 t0 -147.29 119.64 8.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.257 178.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.22 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.44 ' OD1' ' C ' ' B' ' 52' ' ' ASP . 48.9 p30 -89.78 9.05 28.79 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -178.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.73 ' HB2' ' HB3' ' B' ' 50' ' ' ASP . . . -60.65 -33.43 72.8 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.827 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.581 HG21 ' HD3' ' B' ' 34' ' ' LYS . 77.6 t -60.13 -44.85 96.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.56 ' OD1' ' CE ' ' B' ' 30' ' ' LYS . 83.8 m-20 -60.65 -43.35 97.71 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.816 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -63.13 -38.4 91.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.406 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 53' ' ' ALA . 59.1 t -63.99 -48.24 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.217 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.705 ' HA ' HD23 ' B' ' 61' ' ' LEU . 2.9 ppp? -74.55 -38.37 62.74 Favored 'General case' 0 C--O 1.206 -1.211 0 CA-C-O 122.236 1.017 . . . . 0.0 113.259 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.422 ' N ' ' CG ' ' B' ' 58' ' ' MET . 54.7 tptt -62.95 -42.78 99.92 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.767 -1.106 . . . . 0.0 113.803 -176.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.13 -32.43 72.7 Favored 'General case' 0 CA--C 1.489 -1.374 0 CA-C-O 123.652 1.691 . . . . 0.0 106.496 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 1.014 HD11 HG13 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -68.19 -39.32 82.53 Favored 'General case' 0 N--CA 1.422 -1.827 0 CA-C-N 110.556 -3.02 . . . . 0.0 111.436 179.758 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.492 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 52.6 t0 -82.61 92.31 7.11 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 118.982 -1.087 . . . . 0.0 110.921 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -67.5 -39.06 85.18 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.05 0.452 . . . . 0.0 112.11 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.495 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 23.5 m120 -59.1 -37.15 76.48 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.271 -176.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.33 5.07 80.08 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 -177.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.2 p30 -62.45 -32.55 73.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 113.723 -1.239 . . . . 0.0 112.477 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.662 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 99.01 -10.36 61.96 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -178.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.522 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 84.3 tt0 -112.23 140.9 46.55 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 1.014 HG13 HD11 ' B' ' 61' ' ' LEU . 69.6 t -102.67 131.27 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.637 0.732 . . . . 0.0 112.553 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -90.15 145.48 25.01 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 114.333 -1.303 . . . . 0.0 107.897 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.541 ' O ' HG13 ' B' ' 75' ' ' VAL . 72.6 t80 -54.42 -39.47 67.36 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 119.72 -0.792 . . . . 0.0 109.625 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.33 -39.65 87.82 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.369 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.495 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.5 mt-10 -68.51 -41.0 80.59 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.037 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.54 ' OH ' HD21 ' B' ' 37' ' ' LEU . 61.6 t80 -64.97 -43.22 93.34 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.541 HG13 ' O ' ' B' ' 71' ' ' PHE . 20.0 m -65.65 -35.93 76.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.921 -178.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.457 HG13 HG13 ' A' ' 76' ' ' VAL . 68.9 t -61.61 -45.26 99.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 119.715 -0.794 . . . . 0.0 110.204 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.443 HD22 ' HB2' ' B' ' 61' ' ' LEU . 33.6 tp -65.13 -39.89 93.69 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.603 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.451 HG21 ' CE2' ' B' ' 74' ' ' TYR . 49.9 t -62.01 -38.27 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.41 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -55.98 -39.5 71.9 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.067 -177.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.11 -42.84 75.56 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.394 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.39 -38.1 89.83 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.529 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 0.9 OUTLIER -60.16 -37.95 81.7 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.035 -179.409 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.0 -43.01 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.62 78.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.419 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -59.46 -33.14 70.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.251 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -54.84 -37.03 65.66 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 120.936 0.398 . . . . 0.0 110.792 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -52.95 -38.46 62.04 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.07 -42.95 91.59 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.07 -45.44 90.81 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.966 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -58.49 -34.7 71.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.187 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.54 -33.66 68.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.718 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -55.66 -34.55 65.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.675 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.504 -179.849 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p -69.68 162.34 27.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.705 0.288 . . . . 0.0 110.599 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.04 -35.21 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.212 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.533 HD22 ' OE1' ' B' ' 40' ' ' GLU . 29.7 tp -59.14 -39.57 82.8 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.16 -179.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.28 -40.81 87.28 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 119.512 -0.875 . . . . 0.0 108.753 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.4 m -65.91 -37.7 86.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.83 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.11 -46.22 88.37 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.69 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.4 mtm -58.55 -40.48 83.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 118.844 -1.142 . . . . 0.0 109.064 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 97.8 mt-10 -67.17 -37.23 83.37 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.85 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.9 m -62.23 -43.72 98.18 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.08 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.29 -44.88 95.51 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.009 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.82 -43.88 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.886 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 22.7 m120 -59.99 -39.18 84.83 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.309 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 10' ' ' THR . 76.0 t -65.44 -42.88 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -59.94 -49.1 79.02 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.177 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.26 -39.87 94.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.457 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.7 98.55 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.694 ' HB2' HD21 ' A' ' 36' ' ' LEU . 54.2 m80 -100.86 -33.1 10.36 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -177.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.484 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 86.4 p -60.74 -29.35 69.33 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.971 -178.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.4 -27.51 63.36 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 115.476 -0.784 . . . . 0.0 114.537 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 22' ' ' GLU . 16.6 ptpt -56.76 -43.59 80.91 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.416 1.108 . . . . 0.0 112.343 -176.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 76.8 mm-40 -135.54 143.28 45.63 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.356 0.598 . . . . 0.0 111.717 178.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.86 -167.52 54.86 Favored Glycine 0 CA--C 1.518 0.268 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -72.8 143.49 47.87 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.8 -38.68 82.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.272 1.034 . . . . 0.0 108.792 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.514 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 68.9 m-85 -71.56 -21.14 61.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.017 -1.901 . . . . 0.0 113.129 -178.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HZ1' ' CD ' ' A' ' 68' ' ' GLU . 23.1 tptm -112.27 140.54 46.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 109.944 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.612 HD23 ' N ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -96.76 132.58 42.32 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.635 -177.885 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.612 ' N ' HD23 ' A' ' 28' ' ' LEU . 49.0 m -102.72 152.83 20.76 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.437 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 76.6 tttt -56.39 -42.12 77.41 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.175 -178.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -59.83 -49.11 78.98 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.828 0.823 . . . . 0.0 110.718 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.552 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.6 mt-10 -61.69 -37.62 84.82 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.392 -177.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.435 HD21 ' CD1' ' A' ' 61' ' ' LEU . 62.8 tp -63.29 -43.18 98.62 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.988 178.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HD3' HG21 ' A' ' 54' ' ' VAL . 6.9 tptp -59.94 -42.2 93.5 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.613 177.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.416 ' O ' HG22 ' A' ' 39' ' ' THR . 78.4 mm-40 -69.42 -39.14 78.07 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.416 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 18' ' ' HIS . 89.1 mt -66.42 -48.87 68.65 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 119.213 -0.995 . . . . 0.0 112.189 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.0 mt -68.8 -42.33 77.45 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.309 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' A' ' 34' ' ' LYS . 19.7 tt0 -63.67 -42.35 98.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.489 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.1 t -85.18 -46.28 11.23 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.584 -0.846 . . . . 0.0 112.335 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.559 ' C ' HD12 ' A' ' 41' ' ' LEU . 96.0 mt-10 -73.29 -33.77 65.38 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.231 -0.587 . . . . 0.0 112.039 -178.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.563 HD23 HD13 ' A' ' 45' ' ' LEU . 6.9 mp -121.4 41.35 3.36 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.053 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -54.25 -32.16 55.33 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.157 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.75 -64.86 1.59 Allowed Glycine 0 CA--C 1.533 1.158 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.549 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -57.86 -44.45 86.59 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.563 HD13 HD23 ' A' ' 41' ' ' LEU . 8.4 mp -94.87 -0.93 53.61 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.539 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.0 t0 -22.77 100.42 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.73 0.776 . . . . 0.0 111.485 -177.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' ASP . . . -64.16 -21.8 66.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 114.23 -1.35 . . . . 0.0 111.928 -179.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.99 -35.34 64.24 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.536 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.502 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 75.1 mmtt -59.81 -37.85 80.31 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.502 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.6 m-20 -141.03 101.29 4.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.332 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.35 -40.85 89.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -84.17 -1.09 54.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HB2' ' CB ' ' A' ' 50' ' ' ASP . . . -61.03 -30.13 70.13 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.894 -178.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.411 HG21 ' HD3' ' A' ' 34' ' ' LYS . 63.9 t -57.84 -45.42 87.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.513 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.437 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 89.9 m-20 -62.59 -41.47 98.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.447 0.641 . . . . 0.0 110.365 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -59.83 -39.49 85.29 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.786 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.47 -44.14 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.015 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.5 ' SD ' ' C ' ' A' ' 58' ' ' MET . 2.0 ppp? -63.81 -38.47 91.23 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.761 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 58' ' ' MET . 95.9 mttt -59.01 -38.83 80.15 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.699 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.93 -37.05 86.34 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.786 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.486 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 96.2 mt -67.08 -37.02 83.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.753 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.63 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 51.5 t0 -76.06 85.96 2.94 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.439 -0.905 . . . . 0.0 110.53 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -66.9 -39.4 87.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.85 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 66' ' ' ASP . 43.9 p-10 -89.23 0.39 56.8 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -177.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.458 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 74.93 11.23 83.85 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.949 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.2 p30 -62.9 -33.27 74.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.733 0.301 . . . . 0.0 111.8 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 97.21 -5.01 62.84 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.531 ' CD ' ' HZ1' ' A' ' 27' ' ' LYS . 80.0 tt0 -115.47 148.42 39.47 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.49 ' O ' ' O ' ' A' ' 28' ' ' LEU . 48.4 t -106.09 133.84 49.38 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-O 121.708 0.766 . . . . 0.0 112.771 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.6 t0 -103.4 149.09 25.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.266 178.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.457 ' O ' HG13 ' A' ' 75' ' ' VAL . 65.9 t80 -52.72 -39.87 62.46 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.336 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.24 -40.66 78.04 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.009 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.486 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.3 mt-10 -67.41 -41.19 85.31 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.419 0.628 . . . . 0.0 111.068 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.417 ' HA ' HD22 ' A' ' 61' ' ' LEU . 91.2 t80 -64.77 -42.18 95.31 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -178.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 71' ' ' PHE . 32.1 m -64.12 -37.16 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -176.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 77' ' ' LEU . 33.9 m -72.69 -43.11 62.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 118.745 -1.182 . . . . 0.0 111.745 -179.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.425 HD23 HD21 ' A' ' 61' ' ' LEU . 31.6 tp -68.32 -40.92 81.49 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 p -59.23 -33.14 49.86 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.738 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -58.69 -37.49 76.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.262 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.02 -42.2 76.71 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.138 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 81' ' ' LEU . 7.1 mp -65.09 -38.71 91.62 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -179.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.1 t -58.62 -40.27 82.82 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 118.895 -1.122 . . . . 0.0 109.509 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.58 -41.25 89.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.0 74.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.017 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.2 m -55.59 -34.33 64.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.595 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 19.1 t-20 -55.02 -37.56 66.79 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.044 0.45 . . . . 0.0 110.47 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -53.21 -38.78 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -58.96 -42.64 90.38 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -58.78 -45.78 89.03 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.557 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.595 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 90.5 m95 -59.15 -34.56 72.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.199 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.64 -33.4 68.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.454 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -100.23 120.06 39.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.605 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 56.4 p -69.7 162.37 27.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.565 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.99 -35.25 77.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.222 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.528 HD22 ' OE1' ' A' ' 40' ' ' GLU . 29.5 tp -59.1 -39.53 82.52 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.205 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.4 -40.86 87.97 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 119.463 -0.895 . . . . 0.0 108.629 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 49.1 m -65.89 -37.54 86.38 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.918 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.28 88.02 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.382 -0.827 . . . . 0.0 112.718 -177.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 58.3 mtm -58.52 -40.52 83.11 Favored 'General case' 0 CA--C 1.514 -0.434 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.03 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.431 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 97.9 mt-10 -67.2 -37.23 83.3 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.753 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.675 ' O ' HG23 ' B' ' 14' ' ' VAL . 43.9 m -62.2 -43.73 98.18 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.141 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.23 -44.95 95.4 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.035 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.8 -43.88 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.805 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 22.8 m120 -60.06 -39.14 84.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.3 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 10' ' ' THR . 76.7 t -65.41 -42.86 94.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -59.96 -49.08 79.06 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 114.952 -1.022 . . . . 0.0 112.142 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.25 -39.83 94.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.5 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.71 98.67 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.696 ' HB2' HD21 ' B' ' 36' ' ' LEU . 53.9 m80 -100.86 -33.0 10.4 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -177.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.474 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 86.4 p -60.83 -29.43 69.49 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.894 -178.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.36 -27.52 63.28 Favored Glycine 0 CA--C 1.535 1.302 0 CA-C-N 115.49 -0.777 . . . . 0.0 114.497 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' B' ' 22' ' ' GLU . 16.6 ptpt -56.72 -43.51 80.7 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 118.488 1.144 . . . . 0.0 112.422 -176.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.537 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 76.8 mm-40 -135.62 143.29 45.47 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.344 0.593 . . . . 0.0 111.718 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.81 -167.5 54.84 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -72.85 143.5 47.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.83 -38.68 82.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.263 1.03 . . . . 0.0 108.746 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.507 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 69.6 m-85 -71.61 -21.1 61.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.08 -1.873 . . . . 0.0 113.034 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.489 ' HZ1' ' CD ' ' B' ' 68' ' ' GLU . 23.1 tptm -112.24 140.6 46.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 110.037 -179.117 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.621 HD23 ' N ' ' B' ' 29' ' ' SER . 0.5 OUTLIER -96.73 132.58 42.27 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.643 -177.85 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.621 ' N ' HD23 ' B' ' 28' ' ' LEU . 48.9 m -102.69 152.8 20.79 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.464 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 76.6 tttt -56.36 -42.2 77.42 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.176 -178.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -59.78 -49.11 78.99 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.786 0.803 . . . . 0.0 110.723 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.537 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.6 mt-10 -61.72 -37.64 84.94 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.391 -177.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.436 HD21 ' CD1' ' B' ' 61' ' ' LEU . 62.9 tp -63.4 -43.09 98.52 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.912 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.414 ' HD3' HG21 ' B' ' 54' ' ' VAL . 6.9 tptp -59.96 -42.26 93.71 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.522 177.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.411 ' O ' HG22 ' B' ' 39' ' ' THR . 78.4 mm-40 -69.36 -39.14 78.26 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.401 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.696 HD21 ' HB2' ' B' ' 18' ' ' HIS . 88.8 mt -66.47 -48.79 68.75 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.121 -1.032 . . . . 0.0 112.204 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.83 -42.32 77.36 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.281 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.404 ' CB ' ' O ' ' B' ' 34' ' ' LYS . 19.7 tt0 -63.66 -42.38 98.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.0 t -85.17 -46.25 11.27 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.64 -0.824 . . . . 0.0 112.371 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.547 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.9 mt-10 -73.26 -33.92 65.52 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.997 -178.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.547 HD12 ' C ' ' B' ' 40' ' ' GLU . 6.9 mp -121.33 41.36 3.35 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.042 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -54.29 -32.25 55.88 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.115 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.69 -64.86 1.59 Allowed Glycine 0 CA--C 1.534 1.22 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.552 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -57.86 -44.44 86.57 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -177.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.543 HD13 HD23 ' B' ' 41' ' ' LEU . 8.4 mp -94.78 -0.95 53.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.534 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.0 t0 -22.75 100.57 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.735 0.778 . . . . 0.0 111.417 -177.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' B' ' 50' ' ' ASP . . . -64.46 -21.68 66.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.844 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.94 -35.42 64.2 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.529 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.5 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 75.1 mmtt -59.74 -37.91 80.27 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.5 ' CB ' ' HB2' ' B' ' 53' ' ' ALA . 93.5 m-20 -140.98 101.3 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.365 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.42 -40.82 89.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -84.18 -1.01 54.33 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.5 ' HB2' ' CB ' ' B' ' 50' ' ' ASP . . . -61.19 -29.99 70.14 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.893 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.414 HG21 ' HD3' ' B' ' 34' ' ' LYS . 64.9 t -57.82 -45.47 87.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 119.969 -0.693 . . . . 0.0 110.594 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.464 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 90.0 m-20 -62.59 -41.45 98.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.462 0.649 . . . . 0.0 110.36 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -59.79 -39.45 84.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.854 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.1 t -67.44 -44.26 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.997 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.501 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.0 ppp? -63.76 -38.52 91.41 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.746 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' B' ' 58' ' ' MET . 95.9 mttt -58.94 -38.91 80.09 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 119.397 -0.921 . . . . 0.0 110.652 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.85 -37.08 86.44 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.274 -0.57 . . . . 0.0 109.834 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 96.3 mt -67.04 -37.09 83.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.753 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.623 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 51.5 t0 -76.1 86.04 2.97 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.608 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -66.91 -39.44 87.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.804 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' B' ' 66' ' ' ASP . 43.8 p-10 -89.31 0.43 56.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -176.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.469 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 75.05 11.14 84.14 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.887 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.643 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.3 p30 -62.81 -33.35 75.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.718 0.295 . . . . 0.0 111.733 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.643 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 97.26 -5.05 62.77 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.489 ' CD ' ' HZ1' ' B' ' 27' ' ' LYS . 80.0 tt0 -115.5 148.35 39.58 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.494 ' O ' ' O ' ' B' ' 28' ' ' LEU . 48.4 t -106.03 133.77 49.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.674 0.75 . . . . 0.0 112.805 -177.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.7 t0 -103.42 149.18 25.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.279 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.466 ' O ' HG13 ' B' ' 75' ' ' VAL . 66.0 t80 -52.63 -39.95 62.26 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.372 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.28 -40.58 78.04 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.09 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.488 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 98.3 mt-10 -67.4 -41.23 85.26 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.376 0.607 . . . . 0.0 111.08 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.411 ' HA ' HD22 ' B' ' 61' ' ' LEU . 91.1 t80 -64.69 -42.17 95.51 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -178.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.466 HG13 ' O ' ' B' ' 71' ' ' PHE . 32.3 m -64.2 -37.04 78.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -176.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.414 HG23 ' N ' ' B' ' 77' ' ' LEU . 34.0 m -72.85 -43.11 60.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 118.695 -1.202 . . . . 0.0 111.636 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.414 ' N ' HG23 ' B' ' 76' ' ' VAL . 31.5 tp -68.26 -40.99 81.73 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 p -59.15 -33.21 49.88 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.767 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.438 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -58.66 -37.47 76.05 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.332 -179.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.99 -42.29 76.69 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.168 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.476 HD12 ' N ' ' B' ' 81' ' ' LEU . 7.1 mp -64.99 -38.69 91.79 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.1 t -58.59 -40.3 82.8 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 118.862 -1.135 . . . . 0.0 109.501 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.55 -41.3 89.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.3 -32.97 74.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.972 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 70.9 m -55.58 -34.43 64.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.595 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 19.1 t-20 -54.85 -37.61 66.42 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.1 0.476 . . . . 0.0 110.502 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -53.28 -38.68 63.3 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.03 -42.71 90.86 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -58.72 -45.7 89.0 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.586 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.595 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 90.4 m95 -59.24 -34.5 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.21 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.68 -33.36 68.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.466 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -100.21 119.92 39.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.523 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.584 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.8 p -69.73 162.06 28.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.564 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.84 -34.51 76.1 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.452 HD22 ' OE1' ' B' ' 40' ' ' GLU . 48.9 tp -57.22 -40.0 76.62 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.362 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.18 -39.57 90.63 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 119.334 -0.947 . . . . 0.0 109.482 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.8 m -63.84 -42.37 97.61 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.14 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 11' ' ' LEU . . . -63.61 -45.27 91.06 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.457 0.646 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmm -52.14 -50.72 61.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.835 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -70.08 -36.26 74.8 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.18 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.1 m -58.83 -42.75 89.99 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 7' ' ' ALA . 83.1 mt -57.45 -47.67 81.2 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 121.9 0.857 . . . . 0.0 110.428 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.9 mt -64.3 -38.85 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.139 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -59.81 -39.98 86.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.619 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 15' ' ' PHE . 28.5 m -77.46 -47.85 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 C-N-CA 119.598 -0.841 . . . . 0.0 112.596 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.501 ' CD1' HD13 ' A' ' 36' ' ' LEU . 72.7 m-85 -67.48 -43.15 81.65 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 118.961 -1.095 . . . . 0.0 111.724 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -62.42 -44.37 96.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.831 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.5 74.8 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -177.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.757 ' CG ' HD21 ' A' ' 36' ' ' LEU . 6.1 t60 -70.13 -44.39 69.01 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 120.943 0.401 . . . . 0.0 111.692 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 85.1 p -60.79 -29.96 69.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.509 -178.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.97 -33.9 76.21 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.772 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -58.26 -40.19 81.17 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.266 -178.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.535 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.6 mt-10 -137.34 143.96 42.3 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.814 179.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.67 -165.38 52.46 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -72.31 147.93 45.88 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.036 0.446 . . . . 0.0 110.018 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' O ' ' OG ' ' A' ' 19' ' ' SER . 64.9 mttm -58.86 -32.73 69.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.668 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -105.47 13.85 29.53 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -123.7 132.83 53.92 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.538 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' O ' ' O ' ' A' ' 69' ' ' VAL . 56.2 mt -100.67 137.15 39.45 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.351 0.596 . . . . 0.0 109.994 177.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -101.29 157.5 16.74 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.599 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 58.4 tttt -51.46 -41.73 61.09 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 119.016 -1.074 . . . . 0.0 109.2 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -61.86 -50.41 72.36 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.199 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.535 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.3 mt-10 -63.53 -41.48 98.48 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.674 -176.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.57 -42.97 99.88 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.008 -0.997 . . . . 0.0 110.155 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.8 tptp -61.49 -46.33 90.48 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.898 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.64 -38.06 86.12 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 119.766 -0.774 . . . . 0.0 111.951 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.757 HD21 ' CG ' ' A' ' 18' ' ' HIS . 85.8 mt -66.31 -46.39 77.1 Favored 'General case' 0 CA--C 1.519 -0.243 0 C-N-CA 119.238 -0.985 . . . . 0.0 111.931 178.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.557 HD21 ' OH ' ' A' ' 74' ' ' TYR . 78.0 mt -68.47 -43.13 77.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 119.064 -1.054 . . . . 0.0 110.907 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -64.43 -42.29 96.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.022 -0.99 . . . . 0.0 113.322 -178.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.9 t -83.57 -47.03 11.73 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.776 -0.77 . . . . 0.0 112.302 -178.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.642 ' C ' HD12 ' A' ' 41' ' ' LEU . 95.7 mt-10 -73.18 -33.76 65.61 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.173 -0.611 . . . . 0.0 111.492 -178.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.642 HD12 ' C ' ' A' ' 40' ' ' GLU . 9.0 mp -122.11 51.9 1.32 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.476 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -54.83 -31.77 59.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.44 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.8 -67.92 1.41 Allowed Glycine 0 CA--C 1.532 1.095 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.295 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -57.68 -43.42 85.07 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -177.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.61 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -91.63 -3.47 56.33 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' A' ' 45' ' ' LEU . 61.2 t0 -24.66 84.62 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.496 0.665 . . . . 0.0 111.495 -177.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.61 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -65.74 -21.77 66.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.758 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.24 -35.14 64.63 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.088 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.523 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 48.0 mmtt -58.99 -37.95 78.04 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.523 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.9 m-20 -142.14 87.36 2.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.009 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.7 t -60.41 -44.34 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.304 0.573 . . . . 0.0 111.184 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.6 -33.13 71.09 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.869 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.05 -28.41 62.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.847 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.5 t -56.49 -44.72 81.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.15 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.599 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 84.4 m-20 -61.88 -41.54 98.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.485 0.659 . . . . 0.0 110.082 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -61.77 -39.4 91.51 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.361 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.0 t -66.47 -46.77 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.0 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.484 ' SD ' ' C ' ' A' ' 58' ' ' MET . 2.1 ppp? -64.94 -35.61 81.71 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.957 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 58' ' ' MET . 80.1 tttt -57.73 -41.11 81.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.014 -0.675 . . . . 0.0 109.949 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.04 -36.75 85.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.009 0.433 . . . . 0.0 110.302 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.692 HD21 HD22 ' A' ' 77' ' ' LEU . 84.4 mt -66.6 -36.29 82.24 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.56 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.544 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 50.7 t0 -75.12 85.44 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.301 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.84 -38.35 88.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.398 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.413 ' ND2' ' HB3' ' A' ' 66' ' ' ASP . 43.9 p-10 -90.02 0.57 57.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 -177.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.449 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 73.16 14.31 79.07 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.86 178.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.8 p30 -62.27 -33.11 74.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.876 0.369 . . . . 0.0 111.777 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.1 -7.46 62.42 Favored Glycine 0 CA--C 1.519 0.317 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 80.5 tt0 -115.35 146.55 41.44 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 178.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.511 ' O ' ' O ' ' A' ' 28' ' ' LEU . 48.1 t -104.32 132.81 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 111.662 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.8 t0 -97.92 145.54 26.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.589 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.515 ' O ' HG13 ' A' ' 75' ' ' VAL . 79.2 t80 -51.14 -39.45 56.31 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.43 ' O ' HG22 ' A' ' 75' ' ' VAL . 63.3 tt0 -58.02 -41.06 82.33 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.526 178.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.476 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.9 mt-10 -67.16 -40.74 86.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.524 0.678 . . . . 0.0 110.128 178.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.557 ' OH ' HD21 ' A' ' 37' ' ' LEU . 93.1 t80 -64.59 -41.37 96.29 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 71' ' ' PHE . 26.1 m -62.68 -37.62 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 119.604 -0.838 . . . . 0.0 111.971 -177.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.03 -44.7 99.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 118.957 -1.097 . . . . 0.0 110.538 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.692 HD22 HD21 ' A' ' 61' ' ' LEU . 26.0 tp -67.54 -41.5 84.21 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.5 p -57.56 -34.42 47.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.282 -177.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HB1' ' C ' ' B' ' 75' ' ' VAL . . . -60.42 -39.32 86.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.072 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.91 -42.12 73.76 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.296 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -64.84 -38.66 91.71 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.539 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -59.58 -40.47 87.48 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 118.883 -1.127 . . . . 0.0 109.545 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.84 -41.64 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.044 0.449 . . . . 0.0 109.93 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.9 -34.79 78.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.605 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 77.6 m -58.17 -35.17 71.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.602 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.504 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 50.6 t30 -55.69 -36.86 67.61 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.588 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.474 ' HA ' ' NE1' ' A' ' 90' ' ' TRP . 20.5 t-20 -54.57 -42.13 70.67 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -63.78 -43.58 95.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.848 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.82 -49.59 77.12 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' A' ' 86' ' ' ASN . 70.6 p-90 -87.6 0.37 55.73 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 119.564 -0.854 . . . . 0.0 112.033 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.0 -33.93 65.31 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.348 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -104.76 137.17 42.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.486 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.551 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.6 p -69.62 162.1 28.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.717 0.294 . . . . 0.0 110.627 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.9 -34.47 76.09 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.682 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.439 HD22 ' OE1' ' A' ' 40' ' ' GLU . 49.0 tp -57.23 -40.07 76.81 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.31 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.1 -39.67 90.85 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.398 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.0 m -63.81 -42.4 97.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.114 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' B' ' 11' ' ' LEU . . . -63.61 -45.17 91.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.438 0.637 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmm -52.16 -50.69 61.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.891 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -70.13 -36.18 74.61 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.246 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.9 m -58.82 -42.71 89.84 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 7' ' ' ALA . 83.3 mt -57.56 -47.63 81.54 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 121.861 0.839 . . . . 0.0 110.393 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.7 mt -64.31 -38.85 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.125 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -59.79 -39.97 86.73 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.634 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.42 HG23 ' N ' ' B' ' 15' ' ' PHE . 28.4 m -77.57 -47.81 25.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 119.594 -0.842 . . . . 0.0 112.557 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.493 ' CD1' HD13 ' B' ' 36' ' ' LEU . 72.7 m-85 -67.47 -43.21 81.56 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 119.07 -1.052 . . . . 0.0 111.661 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -62.44 -44.32 96.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.871 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.4 74.97 Favored 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.738 ' CG ' HD21 ' B' ' 36' ' ' LEU . 6.0 t60 -70.27 -44.19 68.93 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 120.791 0.329 . . . . 0.0 111.782 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 84.8 p -60.75 -29.93 69.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.617 -178.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.94 -33.91 76.12 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.848 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -58.26 -40.12 81.0 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.283 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.521 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.6 mt-10 -137.44 143.86 42.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 110.771 179.114 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.67 -165.36 52.49 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -72.31 147.93 45.87 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.077 0.465 . . . . 0.0 109.975 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.47 ' O ' ' OG ' ' B' ' 19' ' ' SER . 64.8 mttm -58.95 -32.63 69.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.711 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 75.2 m-85 -105.51 13.9 29.42 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -176.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -123.7 132.84 53.92 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.548 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.516 ' O ' ' O ' ' B' ' 69' ' ' VAL . 56.0 mt -100.67 137.2 39.39 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 121.4 0.619 . . . . 0.0 109.95 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -101.34 157.55 16.71 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.608 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 58.5 tttt -51.52 -41.68 61.2 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 118.934 -1.106 . . . . 0.0 109.273 -178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.79 -50.51 72.05 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.193 -0.603 . . . . 0.0 112.126 177.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.521 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -63.53 -41.48 98.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.614 -175.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.62 -42.9 99.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.204 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 11.8 tptp -61.6 -46.26 90.61 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.833 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.71 -38.03 85.9 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.928 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.738 HD21 ' CG ' ' B' ' 18' ' ' HIS . 85.6 mt -66.34 -46.46 76.75 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.882 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.553 HD21 ' OH ' ' B' ' 74' ' ' TYR . 77.7 mt -68.44 -43.09 77.84 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 119.079 -1.048 . . . . 0.0 110.884 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -64.48 -42.3 95.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.025 -0.989 . . . . 0.0 113.35 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.494 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.9 t -83.51 -47.0 11.8 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.758 -0.777 . . . . 0.0 112.386 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.641 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.7 mt-10 -73.18 -33.79 65.62 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.481 -178.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.641 HD12 ' C ' ' B' ' 40' ' ' GLU . 9.0 mp -122.13 51.94 1.32 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.468 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -54.9 -31.72 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.435 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.78 -67.99 1.4 Allowed Glycine 0 CA--C 1.533 1.156 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.348 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -57.66 -43.3 84.88 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.612 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.6 OUTLIER -91.69 -3.54 56.16 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' B' ' 45' ' ' LEU . 61.3 t0 -24.71 84.63 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.565 0.698 . . . . 0.0 111.541 -177.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.612 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -65.78 -21.7 66.52 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.838 -1.073 . . . . 0.0 111.784 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -55.21 -35.16 64.58 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.16 -178.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.516 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 48.1 mmtt -58.99 -37.86 77.84 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.516 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.2 m-20 -142.33 87.43 2.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.964 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 39.7 t -60.38 -44.38 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.272 0.558 . . . . 0.0 111.199 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.62 -33.07 71.03 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.837 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.07 -28.36 62.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.862 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.6 t -56.49 -44.74 81.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.162 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.608 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 84.3 m-20 -61.86 -41.58 98.01 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.433 0.635 . . . . 0.0 110.073 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -61.72 -39.46 91.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.321 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.38 -46.91 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.995 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.487 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.1 ppp? -64.84 -35.7 81.96 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.038 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -57.62 -41.11 80.68 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.98 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.18 -36.57 84.62 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.319 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.669 HD21 HD22 ' B' ' 77' ' ' LEU . 84.3 mt -66.69 -36.27 82.11 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.477 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 50.7 t0 -75.1 85.41 2.35 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.326 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.98 -38.23 88.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.368 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.413 ' ND2' ' HB3' ' B' ' 66' ' ' ASP . 44.0 p-10 -90.03 0.52 57.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.444 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 73.26 14.28 79.25 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.89 178.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.8 p30 -62.28 -33.13 74.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.818 0.342 . . . . 0.0 111.704 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.01 -7.37 62.57 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 80.6 tt0 -115.36 146.57 41.44 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.516 ' O ' ' O ' ' B' ' 28' ' ' LEU . 48.0 t -104.23 132.72 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.515 0.674 . . . . 0.0 111.679 -178.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.9 t0 -97.88 145.54 26.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.624 178.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.517 ' O ' HG13 ' B' ' 75' ' ' VAL . 79.3 t80 -51.16 -39.44 56.35 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.414 ' O ' HG22 ' B' ' 75' ' ' VAL . 63.3 tt0 -57.91 -41.09 81.93 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.552 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.495 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 98.9 mt-10 -67.17 -40.72 86.65 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.175 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.553 ' OH ' HD21 ' B' ' 37' ' ' LEU . 93.1 t80 -64.65 -41.33 96.19 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.517 HG13 ' O ' ' B' ' 71' ' ' PHE . 26.4 m -62.82 -37.49 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 119.583 -0.847 . . . . 0.0 111.905 -177.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.8 t -62.11 -44.68 99.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 118.932 -1.107 . . . . 0.0 110.451 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.669 HD22 HD21 ' B' ' 61' ' ' LEU . 26.3 tp -67.58 -41.53 83.99 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.499 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.5 p -57.54 -34.38 46.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.342 -177.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.439 ' HB1' ' C ' ' A' ' 75' ' ' VAL . . . -60.44 -39.33 87.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.056 -179.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.88 -42.18 73.78 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.295 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.49 ' N ' ' CD2' ' B' ' 81' ' ' LEU . 0.7 OUTLIER -64.75 -38.76 92.08 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -179.473 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.412 HG22 ' O ' ' B' ' 79' ' ' ALA . 1.8 t -59.55 -40.48 87.4 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 118.806 -1.158 . . . . 0.0 109.574 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.85 -41.64 91.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.039 0.447 . . . . 0.0 109.883 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.76 78.65 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.682 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 76.7 m -58.14 -35.19 71.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.655 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.5 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 50.8 t30 -55.64 -36.9 67.53 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.532 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.475 ' HA ' ' NE1' ' B' ' 90' ' ' TRP . 20.5 t-20 -54.62 -42.17 70.89 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -63.65 -43.61 96.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.894 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -59.82 -49.75 76.48 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.607 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.5 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 70.6 p-90 -87.51 0.33 55.72 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 119.635 -0.826 . . . . 0.0 112.021 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.94 -34.03 65.27 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.355 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -104.66 137.14 42.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.502 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 45.7 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.558 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.503 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 30.6 t -117.98 135.91 53.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.556 0.217 . . . . 0.0 111.283 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -64.88 -36.98 86.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.21 -40.22 93.18 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.702 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.07 -41.18 96.15 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.561 -0.856 . . . . 0.0 108.834 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.1 m -65.94 -37.68 86.66 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.152 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.17 -50.05 69.67 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.918 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.5 mtm -59.04 -41.82 88.77 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 119.205 -0.998 . . . . 0.0 109.894 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 76.6 mm-40 -67.53 -36.37 80.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.837 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.9 m -61.38 -43.95 97.99 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.37 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.97 -46.65 88.32 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.72 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.718 HG23 ' CE1' ' A' ' 16' ' ' HIS . 91.0 mt -60.36 -46.54 94.9 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.475 179.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.613 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 24.3 m120 -61.08 -39.33 89.48 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.606 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 10' ' ' THR . 77.4 t -67.24 -48.3 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.878 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.596 ' HD1' HD13 ' A' ' 36' ' ' LEU . 64.8 m-85 -70.01 -50.22 43.59 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.015 -178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.718 ' CE1' HG23 ' A' ' 12' ' ' ILE . 80.1 m80 -60.71 -35.41 76.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.067 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 13' ' ' ASN . . . -60.41 -42.34 95.77 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.796 -178.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.74 ' HB2' HD21 ' A' ' 36' ' ' LEU . 98.9 m-70 -89.57 -28.03 19.84 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.813 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.512 ' OG ' HD21 ' A' ' 28' ' ' LEU . 21.2 m -59.26 -36.5 75.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.947 0.403 . . . . 0.0 110.874 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.82 -31.25 67.51 Favored Glycine 0 CA--C 1.522 0.476 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.581 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -56.66 -38.16 71.81 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.764 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -137.1 142.78 42.32 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.259 0.552 . . . . 0.0 111.725 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.28 -146.91 42.88 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.834 177.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -83.73 133.12 34.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.424 -0.888 . . . . 0.0 111.545 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -55.59 -37.66 68.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.788 0.804 . . . . 0.0 109.884 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 3.2 m-30 -71.51 -19.26 62.21 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.087 -1.415 . . . . 0.0 112.141 -176.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -112.08 139.04 47.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.512 HD21 ' OG ' ' A' ' 19' ' ' SER . 66.8 mt -105.44 132.32 51.75 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.29 -1.323 . . . . 0.0 107.86 174.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -102.18 166.11 10.77 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 46.6 mtpt -52.19 -39.79 60.62 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 118.608 -1.237 . . . . 0.0 109.238 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -63.37 -51.9 63.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.146 -0.622 . . . . 0.0 112.488 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.02 -40.97 97.5 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.634 0.73 . . . . 0.0 110.949 -175.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.38 -41.95 96.42 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.268 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.597 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 1.5 tptp -60.16 -47.67 84.96 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.541 -1.208 . . . . 0.0 111.998 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.513 ' O ' HG22 ' A' ' 39' ' ' THR . 77.8 mm-40 -69.99 -38.02 75.88 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.083 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.74 HD21 ' HB2' ' A' ' 18' ' ' HIS . 43.7 mt -63.89 -50.64 67.94 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 119.87 -0.732 . . . . 0.0 112.347 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.57 HD23 HD12 ' A' ' 45' ' ' LEU . 10.1 mp -72.67 -44.65 61.56 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 119.449 -0.901 . . . . 0.0 111.919 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.597 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 64.6 tt0 -63.9 -42.37 97.46 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -80.82 -46.56 15.17 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.886 -0.726 . . . . 0.0 112.643 -178.384 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.556 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 73.8 mm-40 -73.41 -36.28 65.98 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 118.733 -1.187 . . . . 0.0 111.305 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.5 mt -125.39 57.18 1.33 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.979 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.9 m -55.54 -34.3 64.59 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.999 -0.281 . . . . 0.0 111.231 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.43 -66.34 1.74 Allowed Glycine 0 CA--C 1.53 0.981 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.546 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -60.04 -43.75 95.12 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -177.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.802 ' O ' ' N ' ' A' ' 47' ' ' ALA . 3.1 mm? -88.04 -7.23 57.33 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -179.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.684 ' O ' ' N ' ' A' ' 48' ' ' GLN . 52.9 t0 -25.25 69.33 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -177.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.837 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . 39.38 13.0 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.714 0.292 . . . . 0.0 111.115 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.684 ' N ' ' O ' ' A' ' 46' ' ' ASP . 91.7 mt-30 59.23 38.05 23.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 -177.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 58.96 30.29 20.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.426 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.837 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 60.0 t0 -145.66 125.77 13.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.79 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.2 -40.24 88.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -87.83 4.03 46.05 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.739 ' HB2' ' HB3' ' A' ' 50' ' ' ASP . . . -60.3 -30.93 69.8 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.577 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.436 HG21 ' HD3' ' A' ' 34' ' ' LYS . 78.4 t -58.86 -45.0 91.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.435 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 90.1 m-20 -62.0 -42.11 98.8 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.306 179.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.13 -39.81 93.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.424 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 53' ' ' ALA . 76.0 t -66.36 -47.64 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.395 -179.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.526 ' SD ' ' C ' ' A' ' 58' ' ' MET . 2.8 ppp? -65.83 -35.95 82.11 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.351 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -56.76 -40.82 76.51 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.541 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.67 -36.58 84.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.556 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.649 HD21 HD22 ' A' ' 77' ' ' LEU . 79.5 mt -66.53 -36.96 83.97 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.763 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 52.0 t0 -76.96 88.67 3.51 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.475 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.3 -38.76 88.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.383 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 66' ' ' ASP . 45.1 p-10 -90.8 0.31 57.49 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -177.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.462 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 72.53 14.3 77.55 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.808 178.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.64 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.7 p30 -62.47 -33.03 74.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.64 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.3 -7.79 62.2 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -178.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.48 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 84.5 tt0 -112.5 142.51 44.98 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 61' ' ' LEU . 42.8 t -105.22 131.34 54.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.364 0.602 . . . . 0.0 111.083 -178.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 58.1 t0 -96.96 144.8 26.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.459 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.594 ' CE2' ' CG1' ' A' ' 75' ' ' VAL . 77.3 t80 -50.87 -37.78 45.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.416 ' O ' HG22 ' A' ' 75' ' ' VAL . 94.2 mt-30 -58.95 -39.2 80.92 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.614 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.477 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -68.36 -41.38 80.73 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.75 0.786 . . . . 0.0 109.962 178.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.8 -40.91 95.99 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.594 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 27.7 m -62.4 -36.58 75.5 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.881 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.09 -44.67 99.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 C-N-CA 118.929 -1.108 . . . . 0.0 110.476 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.649 HD22 HD21 ' A' ' 61' ' ' LEU . 24.8 tp -67.7 -42.14 82.5 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.6 p -57.91 -35.19 50.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 119.769 -0.773 . . . . 0.0 110.989 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' B' ' 75' ' ' VAL . . . -60.82 -39.0 87.38 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.346 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.09 -41.08 74.53 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.718 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.434 HD13 HD11 ' A' ' 45' ' ' LEU . 73.4 mt -64.03 -38.32 90.63 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -178.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 0.6 OUTLIER -58.0 -41.2 82.55 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.139 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.87 -41.33 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.67 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.74 -30.75 71.81 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.685 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -54.34 -39.43 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.189 -179.076 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.532 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 49.7 t-20 -58.25 -38.22 76.48 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.357 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -53.5 -38.52 63.77 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.75 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -64.03 -38.29 90.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.813 177.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.46 -46.16 89.57 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.201 0.524 . . . . 0.0 109.713 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -59.45 -34.8 72.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.07 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.31 -33.65 67.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.506 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -55.38 -36.66 66.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.494 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.643 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.66 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.556 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 30.5 t -117.99 135.98 53.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.57 0.224 . . . . 0.0 111.247 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -64.86 -37.08 86.42 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.23 -40.17 93.03 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.679 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.13 -41.24 96.37 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -65.88 -37.64 86.67 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.211 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.19 -49.99 69.86 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.967 -177.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.4 mtm -59.09 -41.78 88.89 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 119.175 -1.01 . . . . 0.0 109.871 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 76.7 mm-40 -67.59 -36.39 80.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.764 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.622 ' O ' HG23 ' B' ' 14' ' ' VAL . 48.1 m -61.36 -43.9 98.08 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.386 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.05 -46.64 88.24 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.659 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.714 HG23 ' CE1' ' B' ' 16' ' ' HIS . 91.0 mt -60.32 -46.6 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.498 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.613 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 24.3 m120 -61.02 -39.36 89.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.604 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.622 HG23 ' O ' ' B' ' 10' ' ' THR . 77.2 t -67.28 -48.24 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.897 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.579 ' HD1' HD13 ' B' ' 36' ' ' LEU . 65.2 m-85 -69.97 -50.15 44.57 Favored 'General case' 0 N--CA 1.461 0.091 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.127 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.714 ' CE1' HG23 ' B' ' 12' ' ' ILE . 79.9 m80 -60.8 -35.48 76.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.985 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' B' ' 13' ' ' ASN . . . -60.4 -42.26 95.55 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.877 -178.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.761 ' HB2' HD21 ' B' ' 36' ' ' LEU . 98.9 m-70 -89.58 -28.07 19.8 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.916 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.517 ' OG ' HD21 ' B' ' 28' ' ' LEU . 20.8 m -59.16 -36.53 75.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.379 . . . . 0.0 110.819 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.98 -31.04 67.59 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.599 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -56.71 -38.15 71.93 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.01 -0.676 . . . . 0.0 110.751 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -137.11 142.7 42.3 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.344 0.593 . . . . 0.0 111.768 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.29 -146.91 42.92 Favored Glycine 0 CA--C 1.527 0.797 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.798 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -83.71 133.17 34.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.436 -0.882 . . . . 0.0 111.583 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -55.6 -37.73 68.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.749 0.785 . . . . 0.0 109.821 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.573 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 3.2 m-30 -71.5 -19.23 62.22 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.195 -176.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -112.07 139.02 47.93 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.517 HD21 ' OG ' ' B' ' 19' ' ' SER . 66.9 mt -105.41 132.31 51.76 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 114.285 -1.325 . . . . 0.0 107.963 174.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -102.05 165.96 10.88 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.417 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 46.7 mtpt -51.98 -39.95 60.18 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 118.636 -1.226 . . . . 0.0 109.303 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -63.27 -51.96 63.97 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.104 -0.638 . . . . 0.0 112.481 178.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.98 -40.94 97.51 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.991 -175.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.42 -41.87 96.35 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.625 -1.17 . . . . 0.0 109.264 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.594 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 1.4 tptp -60.28 -47.51 85.69 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 114.591 -1.186 . . . . 0.0 112.037 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.501 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -70.03 -38.09 75.79 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.046 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.761 HD21 ' HB2' ' B' ' 18' ' ' HIS . 43.6 mt -63.97 -50.55 68.13 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.325 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.568 HD23 HD12 ' B' ' 45' ' ' LEU . 10.0 mp -72.7 -44.67 61.46 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.917 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.594 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.6 tt0 -63.83 -42.39 97.63 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.501 HG22 ' O ' ' B' ' 35' ' ' GLU . 0.7 OUTLIER -80.82 -46.62 15.07 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.891 -0.724 . . . . 0.0 112.58 -178.361 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.503 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 73.9 mm-40 -73.4 -36.28 66.0 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 118.762 -1.175 . . . . 0.0 111.295 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -125.43 57.32 1.33 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.942 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 20.9 m -55.64 -34.2 64.72 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.206 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.54 -66.28 1.74 Allowed Glycine 0 CA--C 1.53 1.006 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.536 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -60.16 -43.58 95.66 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.81 ' O ' ' N ' ' B' ' 47' ' ' ALA . 3.1 mm? -88.18 -7.28 57.12 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.682 ' O ' ' N ' ' B' ' 48' ' ' GLN . 52.8 t0 -25.17 69.37 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -177.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.819 ' HB1' ' O ' ' B' ' 50' ' ' ASP . . . 39.31 12.98 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.713 0.292 . . . . 0.0 111.247 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.682 ' N ' ' O ' ' B' ' 46' ' ' ASP . 91.7 mt-30 59.26 38.02 23.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -177.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 58.97 30.36 20.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.661 -1.154 . . . . 0.0 109.38 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.819 ' O ' ' HB1' ' B' ' 47' ' ' ALA . 60.1 t0 -145.8 125.76 13.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.753 178.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 74.9 t -65.12 -40.25 88.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -87.82 4.02 46.04 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.741 ' HB2' ' HB3' ' B' ' 50' ' ' ASP . . . -60.42 -30.78 69.84 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.56 -179.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.437 HG21 ' HD3' ' B' ' 34' ' ' LYS . 78.9 t -58.87 -45.03 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.417 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 90.1 m-20 -61.89 -42.28 98.89 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.266 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.04 -39.8 93.57 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.463 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 53' ' ' ALA . 76.5 t -66.48 -47.55 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.397 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.528 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.8 ppp? -65.88 -35.85 81.77 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.336 -0.546 . . . . 0.0 111.432 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -56.9 -40.7 76.75 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.577 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.62 -36.62 84.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.599 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.667 HD21 HD22 ' B' ' 77' ' ' LEU . 79.6 mt -66.6 -36.88 83.68 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.76 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.478 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 52.0 t0 -76.95 88.58 3.51 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.502 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.27 -38.69 88.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.392 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' B' ' 66' ' ' ASP . 44.8 p-10 -90.9 0.48 57.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -177.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.454 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 72.36 14.44 77.06 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.913 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.648 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.7 p30 -62.51 -33.11 74.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.648 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.35 -7.84 62.13 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -178.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.477 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 84.5 tt0 -112.5 142.38 45.13 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.426 HG13 ' HB3' ' B' ' 61' ' ' LEU . 42.9 t -105.18 131.41 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.463 0.649 . . . . 0.0 111.058 -178.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 58.1 t0 -96.93 144.83 26.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.477 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.594 ' CE2' ' CG1' ' B' ' 75' ' ' VAL . 77.3 t80 -50.9 -37.88 46.45 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.414 ' O ' HG22 ' B' ' 75' ' ' VAL . 94.3 mt-30 -58.94 -39.17 80.8 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.588 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.489 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 98.7 mt-10 -68.4 -41.34 80.62 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.712 0.768 . . . . 0.0 109.975 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.82 -40.85 95.87 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.594 ' CG1' ' CE2' ' B' ' 71' ' ' PHE . 27.5 m -62.4 -36.5 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 119.882 -0.727 . . . . 0.0 111.897 -177.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.2 -44.68 99.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 C-N-CA 119.008 -1.077 . . . . 0.0 110.396 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.667 HD22 HD21 ' B' ' 61' ' ' LEU . 24.9 tp -67.71 -42.16 82.43 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.6 p -57.88 -35.21 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 119.671 -0.811 . . . . 0.0 111.015 -177.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 75' ' ' VAL . . . -60.79 -39.08 87.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.3 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.12 -40.98 74.56 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.349 -0.541 . . . . 0.0 110.701 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.439 HD13 HD11 ' B' ' 45' ' ' LEU . 73.7 mt -64.1 -38.28 90.48 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -178.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.561 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 0.6 OUTLIER -58.04 -41.23 82.78 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.141 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.78 -41.4 90.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.691 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.8 -30.79 71.85 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.638 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -54.26 -39.35 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.309 -179.194 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.523 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 49.6 t-20 -58.4 -38.13 76.74 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.392 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -53.45 -38.47 63.59 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 120.174 -0.611 . . . . 0.0 109.889 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -64.03 -38.23 90.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.87 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.57 -46.13 89.83 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.179 0.514 . . . . 0.0 109.69 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -59.4 -34.71 72.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.161 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.44 -33.6 68.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.515 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -55.33 -36.64 66.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.582 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.535 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.493 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 95.4 p -123.04 154.73 38.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.762 0.315 . . . . 0.0 110.515 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.78 -37.14 85.51 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.91 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' B' ' 40' ' ' GLU . 36.9 tp -60.42 -39.97 89.32 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.55 -41.2 94.07 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 119.533 -0.867 . . . . 0.0 109.619 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.8 m -66.03 -39.28 90.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.557 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -47.66 77.45 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.1 mtm -57.2 -42.31 81.02 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 118.647 -1.221 . . . . 0.0 108.947 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -65.95 -37.75 86.82 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 113.744 -1.571 . . . . 0.0 109.479 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.5 m -61.56 -42.17 98.44 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.422 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.89 -44.12 86.51 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.617 0.723 . . . . 0.0 109.709 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.2 mt -67.0 -38.0 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.452 178.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -60.19 -41.14 92.31 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.584 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.1 m -76.02 -38.56 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.513 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.553 ' CE2' ' CG ' ' A' ' 71' ' ' PHE . 2.5 t80 -62.6 -47.97 81.45 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.865 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -61.85 -45.07 95.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.361 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.45 -52.01 44.64 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.236 -0.586 . . . . 0.0 112.507 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.574 ' CB ' HD21 ' A' ' 36' ' ' LEU . 87.0 m-70 -64.3 -46.12 84.99 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 89.9 p -61.8 -30.89 71.11 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.059 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.48 -33.97 83.65 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.261 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -58.38 -39.18 78.91 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.665 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.515 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -131.49 149.8 52.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.959 0.409 . . . . 0.0 111.397 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.74 -159.96 6.97 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.82 146.48 49.68 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.08 0.467 . . . . 0.0 110.354 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' O ' ' OG ' ' A' ' 19' ' ' SER . 62.5 mttt -58.72 -33.23 69.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.131 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.4 m-85 -102.59 11.41 37.83 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -175.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -130.85 135.39 47.67 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.782 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.7 mt -101.21 138.0 38.81 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 121.385 0.612 . . . . 0.0 110.865 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.4 m -102.97 161.5 13.7 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -52.57 -40.41 62.57 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.885 -1.126 . . . . 0.0 109.149 -178.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -61.24 -50.04 74.67 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.158 -0.617 . . . . 0.0 111.987 177.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.515 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.6 mt-10 -63.17 -40.43 97.51 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.304 -176.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.413 ' CD1' HG11 ' A' ' 69' ' ' VAL . 8.6 tt -62.59 -41.23 98.84 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.631 -1.168 . . . . 0.0 109.165 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.488 ' HD3' HG21 ' A' ' 54' ' ' VAL . 15.4 tptm -60.79 -46.13 91.7 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.599 177.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' O ' HG22 ' A' ' 39' ' ' THR . 77.8 mm-40 -66.26 -37.3 85.16 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 119.918 -0.713 . . . . 0.0 111.439 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.574 HD21 ' CB ' ' A' ' 18' ' ' HIS . 92.1 mt -65.78 -47.0 76.63 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 119.341 -0.944 . . . . 0.0 112.342 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.488 HD21 ' OH ' ' A' ' 74' ' ' TYR . 64.8 mt -68.23 -42.43 79.75 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.145 -1.022 . . . . 0.0 110.598 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.41 -41.86 98.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.953 -1.021 . . . . 0.0 112.938 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.7 t -85.04 -45.74 11.83 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.452 -178.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.532 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 78.4 mm-40 -72.18 -35.2 68.91 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.447 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.1 mt -121.86 41.62 3.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.378 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -53.81 -33.41 55.99 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.188 -179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.79 -63.7 1.73 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.486 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -58.59 -44.75 89.95 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -89.7 -3.12 58.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.22 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.531 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.2 t0 -25.63 115.4 0.05 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.759 0.79 . . . . 0.0 110.897 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.549 ' O ' ' O ' ' A' ' 50' ' ' ASP . . . -62.88 -27.88 69.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.36 -1.291 . . . . 0.0 113.377 -177.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -56.77 -39.75 74.6 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.587 -177.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.446 ' NZ ' ' CE1' ' A' ' 88' ' ' PHE . 45.6 mtpt -63.53 -38.47 91.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.753 ' HB3' ' HB2' ' A' ' 53' ' ' ALA . 87.2 m-20 -106.41 152.65 23.33 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.29 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.0 t -108.88 126.83 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 46.24 34.37 2.16 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.055 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.753 ' HB2' ' HB3' ' A' ' 50' ' ' ASP . . . -63.3 -33.5 75.66 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.046 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.488 HG21 ' HD3' ' A' ' 34' ' ' LYS . 71.4 t -58.49 -44.92 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.322 -178.164 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 90.2 m-20 -62.4 -42.32 99.34 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.424 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -60.32 -40.0 89.04 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.254 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.2 -44.61 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.509 ' SD ' ' C ' ' A' ' 58' ' ' MET . 2.4 ppp? -67.41 -39.9 85.55 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 72.9 mmtt -59.7 -38.32 81.28 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 119.336 -0.946 . . . . 0.0 111.716 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.47 -39.26 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.674 -0.811 . . . . 0.0 110.472 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.509 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 81.3 mt -68.41 -35.93 78.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.159 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.451 ' HA ' HD21 ' A' ' 64' ' ' ASN . 97.9 m-20 -91.34 33.17 0.99 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -178.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -53.14 -33.07 50.8 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.561 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.882 HD22 ' H ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -55.79 -30.38 61.24 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.875 -179.351 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.882 ' H ' HD22 ' A' ' 64' ' ' ASN . . . 93.27 6.52 62.88 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.684 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.1 p30 -61.21 -35.08 76.21 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.684 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.76 -10.26 70.6 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -121.67 154.86 36.28 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.413 HG11 ' CD1' ' A' ' 33' ' ' LEU . 47.8 t -101.24 129.7 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 119.404 -0.919 . . . . 0.0 111.623 -178.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -88.94 131.58 35.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.229 -1.35 . . . . 0.0 110.05 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.553 ' CG ' ' CE2' ' A' ' 15' ' ' PHE . 78.2 t80 -51.29 -38.7 54.25 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.375 -179.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.482 ' HG2' HG11 ' B' ' 83' ' ' VAL . 83.5 mt-30 -58.17 -39.8 79.8 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.684 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.9 mt-10 -68.51 -38.62 81.09 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.178 0.513 . . . . 0.0 110.848 178.335 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.488 ' OH ' HD21 ' A' ' 37' ' ' LEU . 90.2 t80 -63.33 -42.45 98.98 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.555 HG21 HG21 ' B' ' 83' ' ' VAL . 32.8 m -65.51 -32.54 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.917 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.8 t -63.1 -47.15 93.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 119.276 -0.97 . . . . 0.0 110.551 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 77' ' ' LEU . 2.6 mm? -73.11 -39.57 65.68 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -56.42 -36.68 47.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.18 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.403 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.58 -39.49 88.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.105 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.42 -40.62 81.15 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.913 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.82 -40.75 97.37 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.294 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.2 t -61.21 -45.07 96.08 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 118.665 -1.214 . . . . 0.0 109.382 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.573 HG21 HG21 ' B' ' 75' ' ' VAL . 96.4 t -66.09 -39.59 84.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.318 178.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.58 74.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.742 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 75.2 m -55.69 -36.98 67.75 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.31 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.468 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 24.7 m120 -57.17 -34.73 68.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.01 -39.25 68.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.186 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.446 ' CE1' ' NZ ' ' A' ' 49' ' ' LYS . 67.3 t80 -59.29 -45.93 89.93 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.979 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.482 ' O ' ' OD1' ' A' ' 92' ' ' ASN . 96.1 m-85 -63.17 -37.4 87.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.654 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.468 ' CD1' ' O ' ' A' ' 86' ' ' ASN . 39.2 m0 -56.09 -33.73 65.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.689 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -56.56 -32.84 65.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.68 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.613 ' OD1' ' N ' ' A' ' 93' ' ' SER . 35.3 p-10 -56.28 -30.98 63.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.811 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.613 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 7.2 m . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.602 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.532 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 95.2 p -123.09 154.74 38.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.749 0.309 . . . . 0.0 110.578 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.84 -37.03 85.18 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.896 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 40' ' ' GLU . 37.1 tp -60.42 -40.01 89.48 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.144 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.63 -41.17 94.35 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 119.546 -0.862 . . . . 0.0 109.544 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 48.9 m -65.99 -39.3 90.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.557 178.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' B' ' 11' ' ' LEU . . . -64.67 -47.71 77.44 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.0 mtm -57.17 -42.33 80.91 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 118.625 -1.23 . . . . 0.0 108.984 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -65.98 -37.7 86.65 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 113.638 -1.619 . . . . 0.0 109.48 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.0 m -61.5 -42.2 98.44 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.419 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 7' ' ' ALA . 89.0 mt -57.96 -44.01 86.77 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.675 0.75 . . . . 0.0 109.714 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.4 mt -67.05 -38.0 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.41 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -60.21 -41.19 92.52 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.565 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.2 m -75.92 -38.59 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 C-N-CA 119.924 -0.711 . . . . 0.0 110.557 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.558 ' CE2' ' CG ' ' B' ' 71' ' ' PHE . 2.6 t80 -62.56 -48.03 81.26 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.887 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -61.78 -45.08 95.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.399 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.42 -52.08 44.02 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.241 -0.584 . . . . 0.0 112.431 -178.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.568 ' CB ' HD21 ' B' ' 36' ' ' LEU . 87.1 m-70 -64.24 -46.19 84.89 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 89.6 p -61.83 -30.9 71.14 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.024 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.43 -34.12 84.02 Favored Glycine 0 CA--C 1.526 0.727 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.27 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -58.2 -39.26 78.52 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.706 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.508 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.8 mm-40 -131.49 149.8 52.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.957 0.408 . . . . 0.0 111.367 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.7 -159.95 6.91 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.79 146.55 49.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.07 0.462 . . . . 0.0 110.355 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -58.77 -33.33 70.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.093 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.429 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 1.4 m-85 -102.49 11.37 38.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -175.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -130.91 135.41 47.65 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.693 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.7 mt -101.21 137.94 38.9 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.389 0.614 . . . . 0.0 110.894 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 54.7 m -102.91 161.54 13.67 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -52.55 -40.44 62.55 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.187 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -61.31 -49.99 74.76 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.982 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.508 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.6 mt-10 -63.14 -40.51 97.79 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.249 -176.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.421 ' CD1' HG11 ' B' ' 69' ' ' VAL . 8.6 tt -62.51 -41.17 98.65 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.259 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.475 ' HD3' HG21 ' B' ' 54' ' ' VAL . 15.4 tptm -60.81 -46.11 91.82 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.628 177.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.407 ' O ' HG22 ' B' ' 39' ' ' THR . 77.8 mm-40 -66.32 -37.21 84.86 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 119.826 -0.75 . . . . 0.0 111.472 179.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.568 HD21 ' CB ' ' B' ' 18' ' ' HIS . 91.9 mt -65.96 -46.75 76.97 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 119.201 -1.0 . . . . 0.0 112.381 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.482 HD21 ' OH ' ' B' ' 74' ' ' TYR . 64.4 mt -68.26 -42.45 79.58 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 119.107 -1.037 . . . . 0.0 110.605 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.37 -41.94 98.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.892 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.476 HG23 ' N ' ' B' ' 40' ' ' GLU . 2.7 t -84.93 -45.81 11.86 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.141 -0.624 . . . . 0.0 112.465 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.514 ' HB3' HD23 ' A' ' 4' ' ' LEU . 78.3 mm-40 -72.22 -35.1 68.78 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.296 -0.562 . . . . 0.0 111.454 -178.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 76.4 mt -121.8 41.53 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.403 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -53.94 -33.31 56.42 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.193 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.82 -63.73 1.73 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.46 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -58.5 -44.74 89.56 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -89.84 -3.06 58.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.098 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.533 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.2 t0 -25.63 115.45 0.05 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.723 0.773 . . . . 0.0 110.855 -177.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.565 ' O ' ' O ' ' B' ' 50' ' ' ASP . . . -62.92 -27.88 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.365 -1.288 . . . . 0.0 113.44 -177.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -56.76 -39.76 74.61 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.374 -0.93 . . . . 0.0 111.592 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.403 ' NZ ' ' CE1' ' B' ' 88' ' ' PHE . 45.6 mtpt -63.6 -38.28 90.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.755 ' HB3' ' HB2' ' B' ' 53' ' ' ALA . 87.3 m-20 -106.65 152.68 23.44 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.268 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.9 t -108.78 126.78 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 46.18 34.44 2.14 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.071 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.755 ' HB2' ' HB3' ' B' ' 50' ' ' ASP . . . -63.28 -33.49 75.62 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.143 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.475 HG21 ' HD3' ' B' ' 34' ' ' LYS . 71.7 t -58.49 -44.91 90.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.362 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.31 -42.39 99.32 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.441 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -60.34 -39.94 88.92 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.895 -0.722 . . . . 0.0 110.227 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.6 t -67.27 -44.61 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.515 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.4 ppp? -67.43 -39.85 85.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -59.73 -38.26 81.23 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.282 -0.967 . . . . 0.0 111.748 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.49 -39.31 93.56 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.403 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.508 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 81.3 mt -68.27 -35.98 78.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.157 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.453 ' HA ' HD21 ' B' ' 64' ' ' ASN . 97.9 m-20 -91.46 33.31 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -53.21 -33.01 50.98 Favored 'General case' 0 CA--C 1.503 -0.838 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.574 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.895 HD22 ' H ' ' B' ' 65' ' ' GLY . 0.0 OUTLIER -55.83 -30.34 61.27 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.884 -179.4 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.895 ' H ' HD22 ' B' ' 64' ' ' ASN . . . 93.28 6.46 62.9 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.676 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.1 p30 -61.09 -35.06 75.97 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.676 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.7 -10.38 70.68 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -121.63 155.0 36.04 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.421 HG11 ' CD1' ' B' ' 33' ' ' LEU . 48.0 t -101.38 129.74 52.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 119.351 -0.94 . . . . 0.0 111.55 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -88.9 131.59 35.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.207 -1.36 . . . . 0.0 110.087 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.558 ' CG ' ' CE2' ' B' ' 15' ' ' PHE . 78.2 t80 -51.23 -38.77 54.38 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.384 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.473 ' HG2' HG11 ' A' ' 83' ' ' VAL . 83.5 mt-30 -58.18 -39.77 79.78 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.691 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.508 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 99.0 mt-10 -68.49 -38.64 81.18 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.174 0.511 . . . . 0.0 110.803 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.482 ' OH ' HD21 ' B' ' 37' ' ' LEU . 90.3 t80 -63.3 -42.49 99.04 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.573 HG21 HG21 ' A' ' 83' ' ' VAL . 32.8 m -65.5 -32.57 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.915 -178.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.01 -47.23 93.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 119.382 -0.927 . . . . 0.0 110.538 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.617 HD22 ' N ' ' B' ' 77' ' ' LEU . 2.5 mm? -73.14 -39.51 65.65 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -56.45 -36.66 48.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 C-N-CA 119.164 -1.014 . . . . 0.0 111.152 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.411 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.68 -39.34 88.07 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.137 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.71 81.28 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.936 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.9 mt -63.66 -40.87 97.92 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.411 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.2 t -61.22 -45.05 96.17 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 118.607 -1.237 . . . . 0.0 109.33 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.555 HG21 HG21 ' A' ' 75' ' ' VAL . 96.5 t -66.07 -39.54 84.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.302 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.83 -33.49 74.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.786 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 75.4 m -55.76 -36.87 67.79 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.36 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.463 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 24.7 m120 -57.31 -34.64 68.93 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -55.02 -39.19 68.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.212 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.403 ' CE1' ' NZ ' ' B' ' 49' ' ' LYS . 67.3 t80 -59.3 -46.01 89.71 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.952 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.486 ' O ' ' OD1' ' B' ' 92' ' ' ASN . 96.1 m-85 -63.14 -37.4 87.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.614 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.463 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 39.2 m0 -56.11 -33.62 65.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.802 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -56.58 -32.9 65.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.649 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.612 ' OD1' ' N ' ' B' ' 93' ' ' SER . 35.3 p-10 -56.22 -30.94 63.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.897 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.612 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 7.1 m . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.612 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -119.75 149.03 42.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.952 0.406 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.42 -34.33 75.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.763 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.459 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 41.2 tp -57.85 -41.15 81.8 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.68 -40.85 93.68 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.48 -0.888 . . . . 0.0 108.978 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.8 m -65.51 -37.62 87.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.115 177.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.13 73.85 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.85 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.1 mtm -59.17 -40.92 87.17 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 118.711 -1.196 . . . . 0.0 109.777 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 97.9 mt-10 -67.15 -37.41 83.74 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.826 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 14' ' ' VAL . 46.7 m -62.2 -43.67 98.31 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.72 -44.57 96.66 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -65.66 -43.61 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.073 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 24.5 m120 -60.39 -40.14 89.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 10' ' ' THR . 71.1 t -66.54 -42.84 90.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 121.508 0.67 . . . . 0.0 109.684 178.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.452 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 4.6 t80 -62.07 -51.81 66.46 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.592 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.51 -38.2 89.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.654 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.3 95.89 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.43 ' ND1' HD21 ' A' ' 36' ' ' LEU . 63.9 m170 -99.5 -28.29 13.31 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.491 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 23.3 t -58.47 -37.82 76.27 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.274 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.73 -28.45 65.58 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-N 115.879 -0.6 . . . . 0.0 113.154 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -56.7 -40.26 75.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.434 0.617 . . . . 0.0 112.161 -177.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.526 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.7 mm-40 -140.53 138.91 34.9 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.077 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.0 -163.81 53.83 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -72.74 144.33 47.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.75 0.309 . . . . 0.0 110.369 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' OG ' ' A' ' 19' ' ' SER . 86.5 mttt -59.42 -38.4 80.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 122.363 1.078 . . . . 0.0 108.782 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.505 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 69.5 m-85 -69.53 -25.37 63.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 112.965 -1.925 . . . . 0.0 113.208 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CB ' ' OE2' ' A' ' 68' ' ' GLU . 16.0 mmtm -114.04 141.98 46.76 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 28' ' ' LEU . 86.1 mt -100.47 139.72 35.76 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.903 175.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.7 t -100.54 156.16 17.44 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -50.77 -38.92 50.8 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.195 -1.002 . . . . 0.0 108.835 -178.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -61.66 -51.58 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.108 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.526 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.9 mt-10 -65.01 -40.95 95.63 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.452 -176.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.424 ' O ' HD13 ' A' ' 37' ' ' LEU . 8.2 tt -64.19 -42.87 96.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.498 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.595 ' HD3' HG21 ' A' ' 54' ' ' VAL . 9.6 tptp -60.87 -46.69 89.6 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.198 178.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.497 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -67.84 -37.54 82.02 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.556 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.43 HD21 ' ND1' ' A' ' 18' ' ' HIS . 19.0 mt -64.79 -47.99 76.07 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 119.417 -0.913 . . . . 0.0 112.067 178.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.508 ' CB ' HD23 ' A' ' 45' ' ' LEU . 7.0 mp -71.69 -47.41 54.28 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.407 -0.917 . . . . 0.0 111.852 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -63.2 -41.98 99.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.656 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -81.44 -45.5 15.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.876 -0.73 . . . . 0.0 112.749 -178.684 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.794 ' C ' HD22 ' A' ' 41' ' ' LEU . 95.6 mt-10 -71.87 -35.51 69.8 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 119.18 -1.008 . . . . 0.0 111.785 -178.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.794 HD22 ' C ' ' A' ' 40' ' ' GLU . 4.3 mm? -125.23 61.48 1.2 Allowed 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.825 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 m -55.02 -32.74 62.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.239 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.71 -69.87 1.36 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.489 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -57.77 -41.74 82.61 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.754 HD22 ' HB2' ' A' ' 41' ' ' LEU . 3.6 mp -92.06 -3.08 56.23 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.7 t0 -26.3 97.48 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.278 0.561 . . . . 0.0 111.616 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' ASP . . . -65.28 -21.77 66.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.974 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -50.98 -36.63 40.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.362 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.5 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 73.8 mmtt -58.03 -37.41 74.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.578 ' CB ' ' HB2' ' A' ' 53' ' ' ALA . 89.9 m-20 -140.55 98.57 3.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.943 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.1 t -62.37 -40.9 89.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.439 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 49.0 p30 -89.14 5.36 44.98 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.578 ' HB2' ' CB ' ' A' ' 50' ' ' ASP . . . -63.15 -32.26 73.61 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.595 HG21 ' HD3' ' A' ' 34' ' ' LYS . 75.7 t -59.9 -45.05 95.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.436 -178.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -62.09 -42.21 98.98 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.606 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -62.3 -39.93 94.61 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.033 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 53' ' ' ALA . 70.8 t -66.39 -45.9 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.103 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.431 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 2.6 ppp? -66.95 -36.25 81.8 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.343 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' N ' ' HG3' ' A' ' 58' ' ' MET . 81.6 tttt -58.61 -41.49 85.99 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.393 -178.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.15 -39.04 92.45 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.029 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.012 HD11 HD22 ' A' ' 77' ' ' LEU . 46.6 mt -68.12 -35.74 78.62 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 120.971 0.415 . . . . 0.0 110.819 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -91.43 32.17 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.976 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.99 -29.87 44.84 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.409 176.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.516 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 13.1 m120 -51.75 -32.95 32.78 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.48 -1.236 . . . . 0.0 109.404 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.07 1.81 61.12 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.7 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.0 p30 -61.64 -35.98 79.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.765 -0.718 . . . . 0.0 111.531 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.7 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 90.01 -6.65 82.63 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.465 ' OE2' ' CB ' ' A' ' 27' ' ' LYS . 79.8 tt0 -122.77 148.32 45.49 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.75 128.67 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 119.804 -0.758 . . . . 0.0 110.665 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -87.36 134.22 33.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.475 -1.238 . . . . 0.0 110.666 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.452 ' CD1' ' CE2' ' A' ' 15' ' ' PHE . 88.6 t80 -50.45 -39.17 46.97 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.914 -0.714 . . . . 0.0 110.296 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.502 ' O ' HG12 ' A' ' 75' ' ' VAL . 63.3 tt0 -55.98 -41.0 74.11 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.519 -0.873 . . . . 0.0 109.543 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.516 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.4 mt-10 -68.11 -39.74 82.71 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.093 0.473 . . . . 0.0 110.8 178.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.493 ' CE2' HG11 ' A' ' 78' ' ' VAL . 85.8 t80 -65.27 -43.37 91.48 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.564 HG22 ' HB1' ' B' ' 79' ' ' ALA . 5.5 p -56.68 -36.41 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.749 -178.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.44 HG13 HG13 ' B' ' 76' ' ' VAL . 70.3 t -66.71 -41.39 87.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.056 178.166 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.012 HD22 HD11 ' A' ' 61' ' ' LEU . 35.9 tp -61.3 -42.48 98.72 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.355 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 82' ' ' THR . 23.0 m -71.55 -33.68 50.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 119.203 -0.999 . . . . 0.0 110.544 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.915 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -60.98 -45.85 93.13 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.684 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.52 76.48 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.591 HD21 HD11 ' A' ' 45' ' ' LEU . 26.1 tp -60.7 -38.63 85.65 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.67 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 78' ' ' VAL . 11.6 p -58.17 -40.19 80.83 Favored 'General case' 0 CA--C 1.501 -0.927 0 C-N-CA 119.547 -0.861 . . . . 0.0 109.018 -178.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.437 ' HA ' ' ND2' ' A' ' 86' ' ' ASN . 74.1 t -63.84 -41.08 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.293 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.129 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.48 -34.16 77.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.58 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -34.36 73.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.961 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.492 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 84.1 m-20 -56.08 -34.12 65.67 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.492 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.48 ' HA ' ' NE1' ' A' ' 90' ' ' TRP . 20.5 t-20 -53.98 -41.85 68.35 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -63.69 -43.74 95.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.825 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -60.04 -49.65 76.84 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.492 ' CD1' ' O ' ' A' ' 86' ' ' ASN . 70.2 p-90 -87.57 1.05 54.68 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.979 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.3 -33.51 63.34 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.283 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -54.84 -37.26 65.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.569 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.683 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -119.86 149.05 42.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.91 0.386 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.36 -34.43 75.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.775 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.455 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 41.2 tp -57.81 -41.07 81.44 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.71 -40.84 93.77 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.008 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 49.8 m -65.61 -37.46 86.67 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.122 177.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.08 -49.05 73.8 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.836 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 56.2 mtm -59.17 -40.96 87.26 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 118.711 -1.196 . . . . 0.0 109.759 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.442 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 97.8 mt-10 -67.14 -37.37 83.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.837 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.475 ' O ' HG23 ' B' ' 14' ' ' VAL . 47.3 m -62.22 -43.68 98.28 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.76 -44.53 96.71 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -65.65 -43.62 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.026 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 24.5 m120 -60.43 -40.14 89.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 10' ' ' THR . 70.7 t -66.56 -42.84 90.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.472 0.654 . . . . 0.0 109.672 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.446 ' CE2' ' CD1' ' B' ' 71' ' ' PHE . 4.6 t80 -62.11 -51.78 66.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.606 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.45 -38.2 88.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.701 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.26 95.96 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -176.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.425 ' ND1' HD21 ' B' ' 36' ' ' LEU . 63.7 m170 -99.49 -28.37 13.28 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.491 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.3 t -58.46 -37.8 76.21 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.256 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.75 -28.44 65.61 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-N 115.893 -0.594 . . . . 0.0 113.122 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -56.69 -40.27 75.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 117.454 0.627 . . . . 0.0 112.119 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.538 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.7 mm-40 -140.54 138.92 34.89 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.226 -0.589 . . . . 0.0 111.06 178.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.01 -163.77 53.85 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.83 144.31 47.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.766 0.317 . . . . 0.0 110.355 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.491 ' O ' ' OG ' ' B' ' 19' ' ' SER . 86.4 mttt -59.36 -38.37 80.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 122.421 1.105 . . . . 0.0 108.822 179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.512 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 69.3 m-85 -69.57 -25.47 64.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 112.927 -1.942 . . . . 0.0 113.108 -177.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.467 ' CB ' ' OE2' ' B' ' 68' ' ' GLU . 16.1 mmtm -114.02 141.98 46.75 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' B' ' 28' ' ' LEU . 86.4 mt -100.44 139.75 35.67 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.946 175.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.7 t -100.58 156.18 17.45 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -50.85 -38.89 51.91 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.145 -1.022 . . . . 0.0 108.812 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -61.65 -51.59 67.85 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 119.915 -0.714 . . . . 0.0 112.139 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.538 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.9 mt-10 -64.95 -41.05 95.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.411 -176.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.429 ' O ' HD13 ' B' ' 37' ' ' LEU . 8.2 tt -64.18 -42.82 96.52 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.553 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.594 ' HD3' HG21 ' B' ' 54' ' ' VAL . 9.6 tptp -60.9 -46.67 89.7 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 114.552 -1.204 . . . . 0.0 112.209 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.498 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -67.83 -37.51 82.0 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.613 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.425 HD21 ' ND1' ' B' ' 18' ' ' HIS . 19.0 mt -64.86 -47.94 76.1 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 119.402 -0.919 . . . . 0.0 112.08 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.519 ' CB ' HD23 ' B' ' 45' ' ' LEU . 7.0 mp -71.7 -47.38 54.46 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.369 -0.932 . . . . 0.0 111.888 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -63.18 -42.08 99.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.637 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.498 HG22 ' O ' ' B' ' 35' ' ' GLU . 0.7 OUTLIER -81.25 -45.64 15.98 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.906 -0.718 . . . . 0.0 112.774 -178.674 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.803 ' C ' HD22 ' B' ' 41' ' ' LEU . 95.7 mt-10 -71.88 -35.5 69.78 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 119.138 -1.025 . . . . 0.0 111.747 -178.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.803 HD22 ' C ' ' B' ' 40' ' ' GLU . 4.3 mm? -125.24 61.51 1.2 Allowed 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.878 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.9 m -55.01 -32.71 62.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.25 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.76 -69.87 1.36 Allowed Glycine 0 CA--C 1.531 1.088 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.415 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -57.86 -41.6 82.77 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.745 HD22 ' HB2' ' B' ' 41' ' ' LEU . 3.6 mp -92.19 -3.06 56.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.7 t0 -26.24 97.46 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.351 0.596 . . . . 0.0 111.627 -178.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' B' ' 50' ' ' ASP . . . -65.29 -21.77 66.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.051 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -50.94 -36.67 39.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.347 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.507 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 73.8 mmtt -58.01 -37.44 74.29 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.576 ' CB ' ' HB2' ' B' ' 53' ' ' ALA . 89.9 m-20 -140.56 98.57 3.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.857 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.32 -40.95 89.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.435 ' OD1' ' C ' ' B' ' 52' ' ' ASP . 48.9 p30 -89.08 5.26 45.3 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.576 ' HB2' ' CB ' ' B' ' 50' ' ' ASP . . . -63.04 -32.36 73.71 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.995 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.594 HG21 ' HD3' ' B' ' 34' ' ' LYS . 75.4 t -59.94 -44.96 95.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.421 -178.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -62.09 -42.3 99.07 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.166 -0.613 . . . . 0.0 110.547 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -62.28 -39.89 94.42 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.082 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 53' ' ' ALA . 70.6 t -66.41 -45.88 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.111 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.425 ' HG3' ' N ' ' B' ' 59' ' ' LYS . 2.6 ppp? -66.96 -36.16 81.59 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.36 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' B' ' 58' ' ' MET . 81.6 tttt -58.66 -41.51 86.27 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.431 -179.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.12 -39.03 92.5 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.063 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.983 HD11 HD22 ' B' ' 77' ' ' LEU . 46.8 mt -68.08 -35.79 78.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.929 0.395 . . . . 0.0 110.839 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -91.42 32.23 1.08 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.012 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.02 -29.87 45.25 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.392 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.513 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 13.2 m120 -51.8 -32.91 33.22 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.38 -177.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.04 1.82 61.15 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 108.755 -1.738 . . . . 0.0 108.755 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.695 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.1 p30 -61.65 -35.98 79.51 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.784 -0.708 . . . . 0.0 111.478 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.695 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 89.97 -6.67 82.65 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.467 ' OE2' ' CB ' ' B' ' 27' ' ' LYS . 79.9 tt0 -122.77 148.26 45.56 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.4 t -100.72 128.69 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.707 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -87.39 134.23 33.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.676 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.446 ' CD1' ' CE2' ' B' ' 15' ' ' PHE . 88.7 t80 -50.45 -39.23 47.14 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.941 -0.703 . . . . 0.0 110.282 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.508 ' O ' HG12 ' B' ' 75' ' ' VAL . 63.3 tt0 -55.9 -41.03 73.9 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.542 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.513 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.4 mt-10 -68.1 -39.78 82.74 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.068 0.461 . . . . 0.0 110.764 178.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.497 ' CE2' HG11 ' B' ' 78' ' ' VAL . 85.9 t80 -65.25 -43.41 91.44 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.542 HG22 ' HB1' ' A' ' 79' ' ' ALA . 5.5 p -56.6 -36.5 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.709 -178.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.44 HG13 HG13 ' A' ' 76' ' ' VAL . 70.8 t -66.61 -41.5 88.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.124 178.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.983 HD22 HD11 ' B' ' 61' ' ' LEU . 35.8 tp -61.29 -42.44 98.64 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.391 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.61 ' O ' HG23 ' B' ' 82' ' ' THR . 23.1 m -71.52 -33.65 50.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.6 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.915 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -60.96 -45.86 93.06 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.688 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.17 -34.52 76.46 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.591 HD21 HD11 ' B' ' 45' ' ' LEU . 26.1 tp -60.69 -38.57 85.42 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.718 -178.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.61 HG23 ' O ' ' B' ' 78' ' ' VAL . 11.6 p -58.2 -40.2 80.98 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 119.564 -0.854 . . . . 0.0 109.013 -178.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.441 ' HA ' ' ND2' ' B' ' 86' ' ' ASN . 74.6 t -63.88 -40.96 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.106 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.58 -34.12 77.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.537 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -34.31 73.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.955 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.485 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 84.2 m-20 -56.08 -34.07 65.64 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.519 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.482 ' HA ' ' NE1' ' B' ' 90' ' ' TRP . 20.5 t-20 -53.97 -41.91 68.38 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.533 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -63.69 -43.69 95.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.844 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.14 -49.62 76.9 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -177.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.485 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 70.3 p-90 -87.5 0.93 54.84 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.662 -0.815 . . . . 0.0 112.0 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.19 -33.55 63.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.337 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -54.81 -37.31 65.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.55 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.578 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.703 0.287 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -62.1 -35.61 79.24 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.686 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.532 HD22 ' OE1' ' B' ' 40' ' ' GLU . 33.5 tp -58.67 -39.37 80.48 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.794 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.4 -40.63 87.23 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 119.709 -0.796 . . . . 0.0 109.117 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.0 m -65.29 -39.11 92.11 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.181 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.53 93.39 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.682 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.445 ' SD ' HD21 ' B' ' 41' ' ' LEU . 54.3 mtm -57.99 -40.3 80.37 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 118.573 -1.251 . . . . 0.0 108.375 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.594 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.7 mt-10 -66.7 -36.16 81.85 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.234 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.2 m -61.11 -43.41 98.93 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.364 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.37 -45.61 92.89 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.46 0.648 . . . . 0.0 111.07 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.7 mt -68.14 -41.41 84.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.973 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.594 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 86.7 m-20 -60.1 -40.57 90.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.472 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 m -74.9 -38.02 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.619 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CE2' ' O ' ' A' ' 25' ' ' LYS . 90.5 t80 -60.29 -45.31 93.81 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.195 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.92 -44.32 91.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.467 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.04 -51.65 36.78 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.826 ' CB ' HD21 ' A' ' 36' ' ' LEU . 90.9 m-70 -65.47 -48.42 72.74 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.3 m -59.55 -34.97 73.35 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.44 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.34 -27.35 60.47 Favored Glycine 0 CA--C 1.524 0.595 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.656 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -55.76 -38.94 70.53 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 119.996 -0.681 . . . . 0.0 110.887 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.487 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 94.5 mt-10 -140.06 142.83 36.14 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.378 0.609 . . . . 0.0 111.911 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.81 -148.24 45.57 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.437 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -83.51 133.24 34.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.53 -0.835 . . . . 0.0 111.28 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.582 ' O ' ' CE2' ' A' ' 15' ' ' PHE . 67.6 mttm -56.28 -38.86 71.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.738 0.78 . . . . 0.0 109.363 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.579 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 m-30 -71.56 -19.33 62.17 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.875 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.598 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 39.2 tptt -112.29 134.18 53.98 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.456 HD23 ' HB2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -101.83 130.63 48.32 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.755 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.8 p -100.52 160.01 14.69 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -56.4 -40.65 75.0 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.215 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.84 -49.15 78.64 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 119.073 -1.051 . . . . 0.0 110.589 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.487 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 98.4 mt-10 -62.61 -38.38 89.95 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.435 -177.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.29 -44.91 95.44 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.221 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.564 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 4.9 tptp -60.31 -42.28 95.22 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.812 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' HG22 ' A' ' 39' ' ' THR . 78.3 mm-40 -70.26 -38.88 75.21 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.384 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.826 HD21 ' CB ' ' A' ' 18' ' ' HIS . 93.6 mt -66.36 -48.15 71.12 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.53 -0.868 . . . . 0.0 112.006 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.419 ' HB3' HD23 ' A' ' 45' ' ' LEU . 62.7 mt -68.85 -44.07 74.12 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 118.94 -1.104 . . . . 0.0 110.792 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.564 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.3 tt0 -64.38 -42.24 96.25 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.486 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.4 t -83.46 -46.62 12.28 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.419 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.661 ' C ' HD12 ' A' ' 41' ' ' LEU . 96.5 mt-10 -73.16 -34.23 65.92 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 119.771 -0.772 . . . . 0.0 111.637 -178.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.661 HD12 ' C ' ' A' ' 40' ' ' GLU . 7.7 mp -123.23 48.16 1.87 Allowed 'General case' 0 C--O 1.236 0.392 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.613 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.8 m -54.29 -33.72 59.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.898 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.77 -65.88 1.53 Allowed Glycine 0 CA--C 1.531 1.085 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.461 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -58.45 -43.56 88.87 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.677 ' O ' ' N ' ' A' ' 47' ' ' ALA . 8.8 mp -96.36 -1.33 47.94 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.542 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 56.0 p30 -18.92 76.56 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.977 0.894 . . . . 0.0 112.668 -177.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -65.44 -20.15 66.24 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.474 -1.239 . . . . 0.0 111.347 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.43 HE21 HE21 ' A' ' 38' ' ' GLN . 95.6 mt-30 -54.3 -35.94 63.17 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.149 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.506 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 13.4 mtpp -59.54 -35.52 74.36 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.81 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.8 m-20 -140.08 91.32 2.45 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.658 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.51 -39.5 83.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.035 0.445 . . . . 0.0 110.553 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -55.89 -33.14 64.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.88 -28.88 64.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.089 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.71 -44.18 80.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.54 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 58' ' ' MET . 90.2 m-20 -61.63 -40.79 96.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.492 0.663 . . . . 0.0 110.196 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -60.74 -39.94 90.53 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.033 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.9 t -67.29 -44.92 87.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.077 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.532 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 ppp? -62.99 -37.14 85.97 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 58' ' ' MET . 49.0 tptt -57.74 -41.47 81.95 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.239 -178.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.99 -37.13 85.15 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.574 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.714 HD21 HD22 ' A' ' 77' ' ' LEU . 82.8 mt -67.02 -37.95 85.06 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.493 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 39.8 t0 -78.32 86.12 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.135 -1.026 . . . . 0.0 112.138 -178.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -66.68 -38.85 87.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.881 0.848 . . . . 0.0 109.323 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -59.08 -36.93 75.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.048 -1.433 . . . . 0.0 112.064 -178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.6 4.07 70.7 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 108.255 -1.938 . . . . 0.0 108.255 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.664 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.8 p30 -62.17 -33.11 73.89 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 114.228 -0.986 . . . . 0.0 112.48 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.664 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.83 -5.17 59.66 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 82.8 tt0 -117.33 145.29 44.12 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.9 t -104.72 134.47 46.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.53 0.681 . . . . 0.0 112.8 -176.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.598 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 82.0 m-20 -99.62 152.27 20.24 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.985 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.512 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 77.6 t80 -54.84 -39.59 68.73 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.043 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.422 ' O ' HG22 ' A' ' 75' ' ' VAL . 63.2 tt0 -56.29 -40.59 74.55 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.199 -0.601 . . . . 0.0 109.88 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.67 -40.22 84.44 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.414 0.626 . . . . 0.0 110.237 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -63.67 -42.51 98.03 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 78' ' ' VAL . 29.9 m -63.83 -36.29 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.009 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.0 t -63.44 -45.37 98.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 119.113 -1.035 . . . . 0.0 110.575 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.714 HD22 HD21 ' A' ' 61' ' ' LEU . 26.7 tp -67.82 -40.84 83.75 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.6 p -57.43 -35.46 49.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.401 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' B' ' 75' ' ' VAL . . . -60.53 -38.73 85.38 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.818 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.67 -41.43 75.51 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.84 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.617 HD13 HD21 ' A' ' 45' ' ' LEU . 73.1 mt -63.31 -39.01 93.38 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -59.38 -42.93 92.82 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 118.746 -1.181 . . . . 0.0 109.779 -179.46 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.91 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.875 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.71 -31.62 72.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.051 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -57.15 -35.7 69.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.407 -179.847 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.444 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 86.3 m-20 -56.64 -34.46 67.32 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.712 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 . . . . . 0 C--N 1.331 -0.236 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.084 -179.684 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.9 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.666 0.269 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -62.05 -35.52 78.86 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.773 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.533 HD22 ' OE1' ' A' ' 40' ' ' GLU . 33.8 tp -58.76 -39.31 80.6 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.806 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.44 -40.57 87.21 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 119.691 -0.803 . . . . 0.0 109.183 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -65.23 -39.21 92.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.165 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.46 93.56 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.725 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.44 ' SD ' HD21 ' A' ' 41' ' ' LEU . 54.3 mtm -57.85 -40.41 80.07 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 118.596 -1.242 . . . . 0.0 108.443 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.585 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.7 mt-10 -66.63 -36.25 82.12 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.204 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.8 m -60.99 -43.53 98.73 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.353 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.27 -45.76 92.18 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.527 0.68 . . . . 0.0 111.016 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.04 -41.35 84.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.086 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 86.7 m-20 -60.14 -40.56 90.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.431 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 m -74.96 -38.0 42.42 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.574 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' B' ' 25' ' ' LYS . 90.3 t80 -60.24 -45.28 93.81 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.97 -44.25 91.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.49 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.09 -51.6 37.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.821 ' CB ' HD21 ' B' ' 36' ' ' LEU . 90.8 m-70 -65.45 -48.5 72.49 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.9 m -59.51 -35.0 73.33 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.44 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.32 -27.35 60.4 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.651 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -55.71 -39.05 70.54 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.894 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.482 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 94.6 mt-10 -139.94 142.88 36.37 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.904 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.76 -148.18 45.49 Favored Glycine 0 CA--C 1.524 0.618 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.374 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -83.57 133.19 34.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.484 -0.858 . . . . 0.0 111.26 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.585 ' O ' ' CE2' ' B' ' 15' ' ' PHE . 67.6 mttm -56.17 -38.93 71.57 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.829 0.823 . . . . 0.0 109.376 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.2 m-30 -71.51 -19.37 62.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 113.947 -1.479 . . . . 0.0 111.908 -176.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.606 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 39.1 tptt -112.25 134.08 54.0 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' B' ' 32' ' ' GLU . 0.6 OUTLIER -101.83 130.58 48.31 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -178.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 82.7 p -100.44 160.06 14.64 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -56.45 -40.68 75.22 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.196 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.79 -49.19 78.47 Favored 'General case' 0 CA--C 1.507 -0.677 0 C-N-CA 119.071 -1.052 . . . . 0.0 110.639 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.482 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 98.4 mt-10 -62.64 -38.21 89.37 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.466 -177.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 65.4 tp -62.3 -44.93 95.39 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.549 0.69 . . . . 0.0 111.287 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.592 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 4.9 tptp -60.32 -42.26 95.25 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.808 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.433 ' O ' HG22 ' B' ' 39' ' ' THR . 78.3 mm-40 -70.25 -38.9 75.25 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.408 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.821 HD21 ' CB ' ' B' ' 18' ' ' HIS . 93.7 mt -66.38 -48.13 71.15 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 119.468 -0.893 . . . . 0.0 111.999 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.433 ' HB3' HD23 ' B' ' 45' ' ' LEU . 63.2 mt -68.8 -44.09 74.29 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.01 -1.076 . . . . 0.0 110.761 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.592 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.4 tt0 -64.43 -42.22 96.14 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.4 t -83.51 -46.59 12.28 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.417 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.658 ' C ' HD12 ' B' ' 41' ' ' LEU . 96.5 mt-10 -73.18 -34.22 65.88 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.657 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.658 HD12 ' C ' ' B' ' 40' ' ' GLU . 7.7 mp -123.29 48.26 1.86 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.666 0.27 . . . . 0.0 110.619 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 19.9 m -54.5 -33.51 59.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.901 -178.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.8 -65.83 1.53 Allowed Glycine 0 CA--C 1.53 1.011 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.53 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -58.44 -43.63 88.85 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.675 ' O ' ' N ' ' B' ' 47' ' ' ALA . 8.8 mp -96.36 -1.38 47.83 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.54 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 56.2 p30 -18.9 76.67 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.95 0.881 . . . . 0.0 112.611 -177.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.675 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -65.55 -20.03 66.16 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-N 114.424 -1.262 . . . . 0.0 111.413 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.425 HE21 HE21 ' B' ' 38' ' ' GLN . 95.6 mt-30 -54.34 -35.93 63.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.093 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.503 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 13.4 mtpp -59.55 -35.46 74.28 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.822 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.503 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 91.7 m-20 -140.18 91.39 2.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.651 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.64 -39.53 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.05 0.453 . . . . 0.0 110.499 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -55.71 -33.28 64.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.91 -28.8 64.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.133 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.75 -44.09 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.628 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' B' ' 58' ' ' MET . 90.0 m-20 -61.76 -40.64 95.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.497 0.665 . . . . 0.0 110.275 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -60.77 -39.88 90.47 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.053 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.39 -44.84 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.028 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.537 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -63.0 -37.24 86.4 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.46 ' N ' ' HG3' ' B' ' 58' ' ' MET . 49.0 tptt -57.71 -41.45 81.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.262 -178.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.92 -37.15 85.31 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.656 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.701 HD21 HD22 ' B' ' 77' ' ' LEU . 82.6 mt -67.07 -37.91 84.84 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.474 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 39.9 t0 -78.31 86.12 4.41 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.167 -1.013 . . . . 0.0 112.137 -178.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -66.68 -38.85 87.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.85 0.833 . . . . 0.0 109.274 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -59.14 -36.93 76.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.059 -1.428 . . . . 0.0 112.116 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.62 4.12 70.59 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 108.193 -1.963 . . . . 0.0 108.193 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.659 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.0 p30 -62.27 -33.03 73.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 114.337 -0.932 . . . . 0.0 112.472 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.659 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.85 -5.21 59.64 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.419 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 82.6 tt0 -117.28 145.29 44.06 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.2 t -104.76 134.51 45.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.51 0.671 . . . . 0.0 112.803 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.606 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 81.9 m-20 -99.62 152.32 20.19 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.931 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.508 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 77.9 t80 -54.83 -39.66 68.79 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.072 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.421 ' O ' HG22 ' B' ' 75' ' ' VAL . 63.2 tt0 -56.23 -40.66 74.46 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.875 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.64 -40.26 84.57 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.429 0.633 . . . . 0.0 110.238 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -63.68 -42.41 98.04 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.495 ' O ' HG12 ' B' ' 78' ' ' VAL . 30.3 m -63.9 -36.3 76.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.433 -0.507 . . . . 0.0 112.019 -177.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.1 t -63.5 -45.28 98.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 C-N-CA 119.138 -1.025 . . . . 0.0 110.561 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.701 HD22 HD21 ' B' ' 61' ' ' LEU . 27.0 tp -67.92 -40.9 83.31 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.495 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.5 p -57.38 -35.51 49.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.459 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' A' ' 75' ' ' VAL . . . -60.45 -38.76 85.19 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.475 -0.49 . . . . 0.0 109.868 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.55 -41.49 75.83 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.888 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.615 HD13 HD21 ' B' ' 45' ' ' LEU . 73.1 mt -63.37 -39.03 93.41 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.561 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.0 OUTLIER -59.29 -42.99 92.57 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 118.782 -1.167 . . . . 0.0 109.797 -179.539 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 93.6 t -64.01 -40.44 89.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.829 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.82 -31.52 72.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.037 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -57.13 -35.77 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.462 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.439 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 86.0 m-20 -56.49 -34.59 67.08 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.739 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 N--CA 1.454 -0.231 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.062 -179.603 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.462 0.138 0 CA-C-O 120.561 0.219 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -64.59 -38.39 90.84 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.528 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.9 -40.03 94.05 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.905 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.58 -40.63 95.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.5 m -64.84 -37.96 89.38 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.636 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.53 -49.25 72.0 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.593 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.4 mtm -59.41 -41.03 88.52 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.496 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.592 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.9 mt-10 -66.98 -37.49 84.33 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.971 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.3 m -62.06 -45.17 94.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.76 -47.47 86.16 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 119.626 -0.829 . . . . 0.0 110.74 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.408 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 86.7 mt -60.96 -42.79 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.42 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 86.9 m-20 -61.96 -39.79 93.33 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.509 -0.477 . . . . 0.0 111.857 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -69.36 -51.19 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.988 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.495 ' HD1' HD13 ' A' ' 36' ' ' LEU . 81.3 m-85 -68.46 -44.99 73.64 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.7 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.408 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 84.5 t60 -61.31 -39.7 91.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.063 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 13' ' ' ASN . . . -61.08 -42.3 98.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.732 -177.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.754 ' HB2' HD21 ' A' ' 36' ' ' LEU . 98.3 m-70 -88.1 -26.99 22.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.544 ' OG ' HD21 ' A' ' 28' ' ' LEU . 19.3 m -57.96 -37.0 73.37 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.772 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.53 -30.09 67.86 Favored Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.997 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -56.65 -38.1 71.7 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.202 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.506 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.4 mm-40 -135.43 142.75 45.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.325 0.583 . . . . 0.0 111.875 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.38 -142.93 42.18 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 115.428 -0.806 . . . . 0.0 113.211 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -83.92 132.72 34.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.417 -0.891 . . . . 0.0 111.969 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -56.0 -38.16 70.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.646 0.736 . . . . 0.0 110.291 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.583 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 m-30 -70.9 -21.23 62.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.368 -1.287 . . . . 0.0 112.302 -176.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -112.3 140.05 47.34 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.544 HD21 ' OG ' ' A' ' 19' ' ' SER . 78.3 mt -102.1 133.78 46.4 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 174.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -101.51 163.19 12.39 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.552 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 76.6 tttt -51.6 -39.77 58.58 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.227 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -62.47 -52.09 64.9 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.015 -0.674 . . . . 0.0 112.338 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.506 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.2 mt-10 -63.99 -41.12 97.61 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.03 -176.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.27 -41.86 96.72 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.584 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.612 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 2.8 tptp -61.07 -46.84 89.01 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 114.959 -1.018 . . . . 0.0 111.86 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 39' ' ' THR . 77.8 mm-40 -69.47 -38.17 77.6 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.384 -0.526 . . . . 0.0 111.981 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.754 HD21 ' HB2' ' A' ' 18' ' ' HIS . 45.7 mt -64.93 -47.13 78.79 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.059 -0.656 . . . . 0.0 112.188 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.43 ' HB3' HD13 ' A' ' 45' ' ' LEU . 10.8 mp -72.12 -47.92 47.6 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.958 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.612 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 64.5 tt0 -62.85 -43.14 99.6 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -81.12 -44.26 18.19 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.372 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.412 ' N ' ' CG2' ' A' ' 39' ' ' THR . 76.5 mm-40 -71.67 -35.5 70.33 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 118.895 -1.122 . . . . 0.0 111.15 -178.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.8 mt -123.74 62.67 1.06 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.785 0.326 . . . . 0.0 110.493 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.1 p -59.61 -25.46 64.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.627 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.61 -70.44 1.33 Allowed Glycine 0 CA--C 1.528 0.889 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.571 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.447 ' CE1' ' HA ' ' A' ' 85' ' ' CYS . 81.8 t80 -57.49 -43.45 84.13 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.519 ' O ' ' C ' ' A' ' 46' ' ' ASP . 77.9 mt -92.41 -1.46 56.99 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.519 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.2 t0 -26.21 102.7 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.442 0.639 . . . . 0.0 111.199 -178.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.44 -22.38 66.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.914 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -55.26 -35.67 65.25 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.528 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.509 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 52.3 mtmt -59.19 -37.52 77.62 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.456 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.555 ' CB ' ' HB2' ' A' ' 53' ' ' ALA . 93.7 m-20 -142.16 100.86 3.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.935 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.4 t -62.48 -41.15 90.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 48.9 p30 -88.87 4.75 46.74 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HB2' ' CB ' ' A' ' 50' ' ' ASP . . . -63.67 -31.23 72.33 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.209 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.21 -43.54 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.793 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.552 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 88.1 m-20 -61.33 -43.13 99.39 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.831 -0.748 . . . . 0.0 110.36 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -62.42 -40.18 95.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.739 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 53' ' ' ALA . 69.4 t -66.49 -46.77 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.306 -0.558 . . . . 0.0 112.322 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.519 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.4 ppp? -66.0 -37.48 86.04 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.622 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 58' ' ' MET . 48.8 tttm -57.77 -41.53 82.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.386 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.69 -37.17 85.73 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.943 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.696 HD21 HD22 ' A' ' 77' ' ' LEU . 90.0 mt -66.97 -38.82 86.77 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.565 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 46.7 t0 -77.8 81.02 4.24 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 118.821 -1.152 . . . . 0.0 111.296 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.77 -38.64 86.99 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.241 0.543 . . . . 0.0 111.661 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -58.92 -36.49 74.83 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.181 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.11 2.11 71.69 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 107.988 -2.045 . . . . 0.0 107.988 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.663 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 53.4 p30 -62.34 -32.43 73.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 113.938 -1.131 . . . . 0.0 112.072 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.663 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 99.05 -5.83 59.59 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.409 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 84.4 tt0 -111.22 141.02 45.29 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.9 t -105.85 132.38 53.01 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-O 121.253 0.549 . . . . 0.0 110.658 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.5 t0 -104.32 147.26 27.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.511 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.567 ' CE2' ' CG2' ' A' ' 75' ' ' VAL . 87.6 t80 -52.46 -39.0 60.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.882 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.556 ' HG2' HG11 ' B' ' 83' ' ' VAL . 94.3 mt-30 -59.18 -39.61 83.09 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.322 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.16 -41.5 85.92 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.619 0.723 . . . . 0.0 109.888 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.416 ' CE2' ' CZ ' ' A' ' 15' ' ' PHE . 89.8 t80 -64.94 -40.16 94.61 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.968 HG12 ' HB1' ' B' ' 79' ' ' ALA . 75.9 t -58.4 -40.61 78.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.123 -0.631 . . . . 0.0 112.104 -176.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.59 -43.95 95.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 118.945 -1.102 . . . . 0.0 110.455 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.696 HD22 HD21 ' A' ' 61' ' ' LEU . 26.9 tp -66.07 -41.06 91.26 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 75' ' ' VAL . 2.8 p -59.04 -33.11 49.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 119.911 -0.715 . . . . 0.0 110.696 -177.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.948 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -59.6 -41.7 90.9 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.144 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.1 -40.05 78.62 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.877 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.15 -39.03 93.14 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.483 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.2 t -60.13 -41.72 93.3 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.765 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.563 HG11 ' HG2' ' B' ' 72' ' ' GLN . 92.6 t -61.86 -41.22 89.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.12 82.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.521 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.6 OUTLIER -60.59 -33.56 72.91 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -54.89 -37.18 65.98 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.101 0.477 . . . . 0.0 110.62 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 . . . . . 0 C--N 1.329 -0.314 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.845 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.566 0.222 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.69 -38.32 90.61 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.474 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.9 -40.07 94.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.939 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.56 -40.65 95.47 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 37.0 m -64.78 -38.0 89.5 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.673 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.21 72.23 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.633 -178.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.3 mtm -59.47 -41.01 88.76 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.407 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.597 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.9 mt-10 -67.04 -37.48 84.16 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.895 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.7 m -62.14 -45.08 95.04 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.62 -47.62 85.42 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 119.579 -0.848 . . . . 0.0 110.739 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' B' ' 16' ' ' HIS . 86.5 mt -60.86 -42.82 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.492 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.597 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 86.9 m-20 -61.88 -39.9 93.52 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.541 -0.463 . . . . 0.0 111.841 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 87.8 t -69.34 -51.19 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 120.045 -0.662 . . . . 0.0 111.997 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.498 ' HD1' HD13 ' B' ' 36' ' ' LEU . 81.3 m-85 -68.45 -44.95 73.77 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 119.611 -0.835 . . . . 0.0 111.675 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.409 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 84.4 t60 -61.22 -39.83 91.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.07 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' B' ' 13' ' ' ASN . . . -61.01 -42.28 98.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.803 -177.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.753 ' HB2' HD21 ' B' ' 36' ' ' LEU . 98.3 m-70 -88.11 -27.02 22.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.545 ' OG ' HD21 ' B' ' 28' ' ' LEU . 19.5 m -58.0 -37.02 73.5 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.745 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.47 -30.09 67.67 Favored Glycine 0 CA--C 1.524 0.616 0 CA-C-N 115.61 -0.723 . . . . 0.0 113.011 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -56.65 -38.12 71.73 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.236 -178.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.514 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.4 mm-40 -135.37 142.76 45.77 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.866 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.44 -142.92 42.35 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 115.457 -0.792 . . . . 0.0 113.149 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -84.01 132.68 34.72 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.365 -0.917 . . . . 0.0 111.891 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -55.92 -38.2 69.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.664 0.745 . . . . 0.0 110.311 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.594 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.2 m-30 -70.93 -21.22 62.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.32 -1.309 . . . . 0.0 112.263 -176.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -112.36 140.05 47.41 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.545 HD21 ' OG ' ' B' ' 19' ' ' SER . 77.9 mt -102.06 133.77 46.36 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 174.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -101.5 163.22 12.38 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.581 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 76.7 tttt -51.6 -39.81 58.67 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 118.987 -1.085 . . . . 0.0 109.235 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -62.43 -52.11 64.86 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 119.968 -0.693 . . . . 0.0 112.371 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.2 mt-10 -63.95 -41.14 97.67 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.039 -176.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.23 -41.92 96.79 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.56 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.591 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 2.9 tptp -61.04 -46.78 89.31 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.877 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.506 ' O ' HG22 ' B' ' 39' ' ' THR . 77.8 mm-40 -69.5 -38.15 77.49 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.037 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.753 HD21 ' HB2' ' B' ' 18' ' ' HIS . 45.7 mt -64.9 -47.21 78.6 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.228 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.434 ' HB3' HD13 ' B' ' 45' ' ' LEU . 10.8 mp -72.02 -48.02 47.6 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.806 -0.758 . . . . 0.0 111.947 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.591 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.5 tt0 -62.85 -43.08 99.75 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.506 HG22 ' O ' ' B' ' 35' ' ' GLU . 0.7 OUTLIER -81.15 -44.11 18.37 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.379 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.426 ' N ' ' CG2' ' B' ' 39' ' ' THR . 76.4 mm-40 -71.78 -35.51 70.06 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 118.888 -1.125 . . . . 0.0 111.133 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -123.69 62.78 1.05 Allowed 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.718 0.295 . . . . 0.0 110.482 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -59.7 -25.42 64.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.637 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.68 -70.45 1.33 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.496 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' B' ' 85' ' ' CYS . 81.9 t80 -57.4 -43.6 83.82 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' B' ' 46' ' ' ASP . 77.8 mt -92.41 -1.32 57.09 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.529 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.2 t0 -26.26 102.69 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.431 0.634 . . . . 0.0 111.194 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.49 -22.34 66.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.885 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -55.31 -35.53 65.23 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.552 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.522 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 52.4 mtmt -59.32 -37.5 77.95 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.386 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.559 ' CB ' ' HB2' ' B' ' 53' ' ' ALA . 93.7 m-20 -142.18 100.84 3.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.973 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.54 -41.07 90.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.441 ' C ' ' OD1' ' B' ' 52' ' ' ASP . 49.0 p30 -88.91 4.82 46.64 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.559 ' HB2' ' CB ' ' B' ' 50' ' ' ASP . . . -63.64 -31.36 72.5 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.256 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.05 -43.67 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.806 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.581 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 87.8 m-20 -61.25 -43.15 99.35 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.415 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -62.35 -40.27 95.86 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.737 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 53' ' ' ALA . 69.5 t -66.44 -46.82 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 120.347 -0.541 . . . . 0.0 112.342 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.519 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.4 ppp? -66.03 -37.44 85.88 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.632 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -57.76 -41.6 82.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.362 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.69 -37.17 85.71 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.895 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.69 HD21 HD22 ' B' ' 77' ' ' LEU . 89.9 mt -66.91 -38.92 87.12 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.575 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 46.7 t0 -77.72 80.96 4.17 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 118.846 -1.142 . . . . 0.0 111.281 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.73 -38.6 86.99 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.32 0.581 . . . . 0.0 111.74 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -59.02 -36.46 74.99 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.25 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.14 2.12 71.59 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.663 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.4 p30 -62.31 -32.59 73.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.026 -1.087 . . . . 0.0 112.013 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.663 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 99.18 -5.88 59.42 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.47 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 84.3 tt0 -111.22 140.99 45.32 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -105.84 132.32 53.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 CA-C-O 121.35 0.595 . . . . 0.0 110.628 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.5 t0 -104.3 147.34 27.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.476 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.561 ' CE2' ' CG2' ' B' ' 75' ' ' VAL . 87.8 t80 -52.48 -39.06 60.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.894 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.563 ' HG2' HG11 ' A' ' 83' ' ' VAL . 94.3 mt-30 -59.11 -39.58 82.73 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.309 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.2 -41.53 85.66 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.561 0.696 . . . . 0.0 109.816 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.41 ' CE2' ' CZ ' ' B' ' 15' ' ' PHE . 89.9 t80 -64.89 -40.25 94.8 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.948 HG12 ' HB1' ' A' ' 79' ' ' ALA . 75.8 t -58.37 -40.65 78.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.239 -0.584 . . . . 0.0 112.062 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.57 -43.95 95.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 118.933 -1.107 . . . . 0.0 110.516 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.69 HD22 HD21 ' B' ' 61' ' ' LEU . 26.9 tp -66.16 -40.95 90.93 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.581 HG12 ' O ' ' B' ' 75' ' ' VAL . 2.8 p -59.11 -33.1 49.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.695 -177.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.968 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -59.62 -41.76 91.15 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.11 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.07 78.82 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 119.781 -0.768 . . . . 0.0 110.899 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.21 -38.99 93.03 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.504 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.2 t -60.12 -41.64 93.08 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.8 -179.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.556 HG11 ' HG2' ' A' ' 72' ' ' GLN . 91.5 t -61.9 -41.27 90.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.02 82.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.518 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.6 OUTLIER -60.65 -33.51 72.91 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.054 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -54.87 -37.23 65.99 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.159 0.504 . . . . 0.0 110.639 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.89 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.743 0.306 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.33 -35.39 78.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.684 HD13 ' OE1' ' B' ' 40' ' ' GLU . 8.4 tt -59.99 -40.1 88.01 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.031 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.5 -40.18 90.41 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 119.441 -0.904 . . . . 0.0 108.598 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.2 m -64.8 -37.99 89.47 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.543 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.95 98.87 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.684 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.6 mtm -57.22 -40.51 77.68 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 118.013 -1.475 . . . . 0.0 108.199 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.515 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 98.0 mt-10 -67.04 -35.96 81.03 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.922 -1.036 . . . . 0.0 110.957 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.411 ' O ' HG13 ' A' ' 14' ' ' VAL . 45.9 m -62.16 -44.04 97.49 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.964 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.438 ' O ' HG22 ' A' ' 14' ' ' VAL . 82.6 mt -60.9 -45.36 94.91 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.812 0.815 . . . . 0.0 111.113 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -68.26 -40.67 82.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.822 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 2.3 m120 -60.16 -41.39 92.71 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.054 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 11' ' ' LEU . 25.5 m -74.16 -35.29 40.46 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.105 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.442 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.501 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 66.3 t80 -59.58 -48.36 81.98 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.316 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -61.42 -43.84 98.16 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.98 97.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.477 ' CB ' HD21 ' A' ' 36' ' ' LEU . 96.8 m-70 -90.53 -32.01 16.5 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.4 p -62.89 -31.29 72.31 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.932 -0.707 . . . . 0.0 111.621 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.16 -28.68 67.03 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 115.879 -0.6 . . . . 0.0 113.894 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.469 ' NZ ' ' O ' ' A' ' 18' ' ' HIS . 32.3 mtmm -57.02 -40.88 77.53 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -176.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.589 ' N ' ' OE2' ' A' ' 32' ' ' GLU . 94.5 mt-10 -141.71 150.65 42.11 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 119.894 -0.722 . . . . 0.0 112.67 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.38 -153.0 51.2 Favored Glycine 0 C--N 1.329 0.153 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -71.92 137.65 47.53 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -59.79 -39.4 84.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.862 0.839 . . . . 0.0 110.067 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 m-30 -71.34 -30.14 65.83 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.158 -1.383 . . . . 0.0 113.407 -175.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -120.73 154.19 35.96 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.206 0.527 . . . . 0.0 111.894 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.61 144.56 25.64 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.1 t -98.14 158.01 15.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.018 -1.446 . . . . 0.0 107.428 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -52.95 -42.01 65.06 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.208 -0.997 . . . . 0.0 110.67 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -61.02 -48.57 81.18 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.505 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.589 ' OE2' ' N ' ' A' ' 22' ' ' GLU . 97.2 mt-10 -62.37 -39.85 94.53 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.183 -176.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.83 -41.43 99.32 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.503 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.555 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 2.7 tptp -60.85 -45.53 94.16 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.724 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -66.97 -38.25 85.72 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 120.02 -0.672 . . . . 0.0 112.081 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.477 HD21 ' CB ' ' A' ' 18' ' ' HIS . 78.5 mt -66.83 -45.92 76.77 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.68 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.7 mt -68.44 -41.98 79.52 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 118.902 -1.119 . . . . 0.0 110.494 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.555 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.2 tt0 -63.4 -42.24 98.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.995 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 3.0 t -84.98 -45.57 12.05 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.164 -0.614 . . . . 0.0 112.386 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.684 ' OE1' HD13 ' B' ' 4' ' ' LEU . 97.0 mt-10 -71.96 -35.6 69.6 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.015 -178.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.6 mt -122.0 46.48 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.85 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -57.52 -25.41 59.81 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.86 -68.15 1.34 Allowed Glycine 0 CA--C 1.531 1.083 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.757 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -57.86 -43.78 86.18 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.524 ' O ' ' C ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -91.34 -2.49 57.34 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.524 ' C ' ' O ' ' A' ' 45' ' ' LEU . 59.9 t0 -25.01 112.37 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.542 0.687 . . . . 0.0 111.25 -177.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -27.31 69.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.02 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -56.3 -36.8 69.06 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.345 -178.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -60.85 -40.12 91.69 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.487 ' CG ' ' H ' ' A' ' 53' ' ' ALA . 66.0 t0 -156.86 95.06 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.104 -1.407 . . . . 0.0 111.455 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.91 -40.48 85.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -60.77 -28.35 68.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.561 -1.2 . . . . 0.0 112.465 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.487 ' H ' ' CG ' ' A' ' 50' ' ' ASP . . . -52.46 -32.01 37.62 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.582 -0.447 . . . . 0.0 112.129 -176.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.434 HG21 ' HD3' ' A' ' 34' ' ' LYS . 55.4 t -57.38 -46.69 85.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.336 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.71 -40.89 96.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.315 0.579 . . . . 0.0 110.867 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -59.59 -41.34 90.05 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.321 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.2 m -76.52 -37.76 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 119.568 -0.853 . . . . 0.0 111.826 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.524 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.7 ppp? -62.81 -38.82 92.2 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.616 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 58' ' ' MET . 47.3 mtpt -59.68 -38.79 82.5 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.956 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.9 -38.1 89.83 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.433 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.72 HD21 HD22 ' A' ' 77' ' ' LEU . 92.1 mt -67.26 -36.92 82.61 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.03 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.537 ' OD1' HG22 ' A' ' 69' ' ' VAL . 99.7 m-20 -92.91 35.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.448 -0.797 . . . . 0.0 112.887 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -51.03 -31.04 17.1 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 121.474 0.654 . . . . 0.0 109.272 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.556 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 10.7 m120 -52.71 -31.3 36.95 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.859 -178.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.96 4.33 56.74 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 108.152 -1.979 . . . . 0.0 108.152 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.586 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 54.1 p30 -90.13 126.58 35.85 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 122.245 1.022 . . . . 0.0 110.388 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -53.82 -25.3 29.43 Favored Glycine 0 C--N 1.306 -1.127 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.527 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -94.75 145.06 25.13 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.605 0.717 . . . . 0.0 110.781 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.537 HG22 ' OD1' ' A' ' 62' ' ' ASP . 58.3 t -102.54 131.75 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.201 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -83.89 142.61 30.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.418 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.617 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 40.0 t80 -56.05 -41.24 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.358 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -57.76 -41.11 81.28 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.712 -0.795 . . . . 0.0 109.805 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.556 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 98.5 mt-10 -66.75 -40.05 88.14 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.092 0.472 . . . . 0.0 110.7 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.531 ' O ' HG23 ' A' ' 78' ' ' VAL . 88.9 t80 -65.51 -45.6 82.92 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 1.02 HG12 ' HB1' ' B' ' 79' ' ' ALA . 58.3 t -63.56 -42.45 96.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.095 -178.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.469 HG13 HG13 ' B' ' 76' ' ' VAL . 58.6 t -61.11 -44.49 98.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.617 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.72 HD22 HD21 ' A' ' 61' ' ' LEU . 30.0 tp -63.56 -39.46 94.45 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.767 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 74' ' ' TYR . 53.5 t -59.87 -39.07 78.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.994 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 1.009 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -57.84 -40.38 79.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.512 -178.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.66 -41.49 79.22 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.404 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.59 -40.49 95.63 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.561 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.4 t -64.27 -40.34 95.78 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 118.862 -1.135 . . . . 0.0 109.73 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.483 HG22 ' CE2' ' B' ' 71' ' ' PHE . 69.0 t -62.2 -41.89 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.44 -31.44 72.66 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.268 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -53.95 -34.85 60.87 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.166 -179.659 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.42 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 49.8 t-20 -56.17 -37.4 69.5 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.18 0.514 . . . . 0.0 110.467 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.513 -179.396 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.747 0.308 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.4 -35.33 78.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.868 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.684 HD13 ' OE1' ' A' ' 40' ' ' GLU . 8.4 tt -60.0 -40.11 88.09 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.022 -178.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.43 -40.22 90.29 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.3 m -64.85 -37.98 89.44 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.545 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.94 98.8 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.677 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.7 mtm -57.27 -40.5 77.85 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 118.038 -1.465 . . . . 0.0 108.158 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.509 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 98.1 mt-10 -67.03 -36.05 81.25 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.946 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.415 ' O ' HG13 ' B' ' 14' ' ' VAL . 46.1 m -62.06 -44.08 97.45 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.987 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.437 ' O ' HG22 ' B' ' 14' ' ' VAL . 82.9 mt -60.86 -45.44 94.53 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.802 0.81 . . . . 0.0 111.065 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -68.21 -40.59 82.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.882 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 2.3 m120 -60.26 -41.33 93.04 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.977 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.437 HG22 ' O ' ' B' ' 11' ' ' LEU . 25.7 m -74.18 -35.33 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.429 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.497 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 66.4 t80 -59.49 -48.41 81.74 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.331 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -61.39 -43.84 98.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.21 -40.94 97.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -177.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.509 ' HA ' ' HZ2' ' B' ' 21' ' ' LYS . 96.9 m-70 -90.6 -31.96 16.46 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.0 p -62.88 -31.33 72.35 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.636 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.2 -28.66 67.09 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 115.755 -0.657 . . . . 0.0 113.909 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.509 ' HZ2' ' HA ' ' B' ' 18' ' ' HIS . 32.3 mtmm -56.98 -40.8 77.23 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -176.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.578 ' N ' ' OE2' ' B' ' 32' ' ' GLU . 94.5 mt-10 -141.77 150.59 41.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.621 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.43 -153.04 51.23 Favored Glycine 0 C--N 1.33 0.216 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -71.92 137.69 47.57 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -59.84 -39.36 84.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.816 0.817 . . . . 0.0 110.074 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.594 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.2 m-30 -71.38 -30.13 65.76 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.191 -1.368 . . . . 0.0 113.349 -175.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -120.74 154.13 36.06 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.944 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.5 144.54 25.69 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.0 t -98.22 157.99 15.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.088 -1.414 . . . . 0.0 107.428 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -52.94 -41.98 64.99 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.629 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -61.07 -48.59 80.99 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 119.355 -0.938 . . . . 0.0 111.433 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.578 ' OE2' ' N ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -62.4 -39.89 94.71 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.137 -176.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.81 -41.41 99.28 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.48 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.529 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 2.7 tptp -60.95 -45.45 94.69 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.689 177.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.403 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -67.04 -38.21 85.46 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 119.994 -0.682 . . . . 0.0 112.068 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.464 HD21 ' CB ' ' B' ' 18' ' ' HIS . 78.9 mt -66.78 -45.91 76.97 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.726 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 60.8 mt -68.49 -42.03 79.22 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 118.868 -1.133 . . . . 0.0 110.42 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.529 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.2 tt0 -63.39 -42.18 98.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.18 -0.918 . . . . 0.0 113.012 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 3.0 t -85.05 -45.54 12.01 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.128 -0.629 . . . . 0.0 112.394 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.684 ' OE1' HD13 ' A' ' 4' ' ' LEU . 96.9 mt-10 -72.0 -35.55 69.48 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.024 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 64.5 mt -121.95 46.49 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.869 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -57.61 -25.34 59.95 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.87 -68.1 1.34 Allowed Glycine 0 CA--C 1.531 1.038 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.767 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -57.93 -43.77 86.51 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -91.15 -2.53 57.53 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.089 0.404 . . . . 0.0 112.089 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.528 ' C ' ' O ' ' B' ' 45' ' ' LEU . 59.9 t0 -25.05 112.49 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.523 0.677 . . . . 0.0 111.192 -177.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.91 -27.33 69.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.013 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -56.22 -36.87 68.95 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.29 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -60.76 -40.22 91.71 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.495 ' CG ' ' H ' ' B' ' 53' ' ' ALA . 65.8 t0 -156.81 95.0 1.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.49 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.89 -40.47 85.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -60.81 -28.3 68.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.568 -1.196 . . . . 0.0 112.455 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.495 ' H ' ' CG ' ' B' ' 50' ' ' ASP . . . -52.4 -32.09 37.22 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.566 -0.453 . . . . 0.0 112.168 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.416 HG21 ' HD3' ' B' ' 34' ' ' LYS . 55.7 t -57.34 -46.79 85.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 119.701 -0.8 . . . . 0.0 110.294 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -64.6 -40.91 96.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.249 0.547 . . . . 0.0 110.867 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -59.54 -41.35 89.87 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.364 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 27.3 m -76.58 -37.74 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 119.55 -0.86 . . . . 0.0 111.784 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.518 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.7 ppp? -62.84 -38.86 92.43 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.588 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' B' ' 58' ' ' MET . 47.4 mtpt -59.58 -38.86 82.31 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 119.507 -0.877 . . . . 0.0 110.941 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.86 -38.2 90.17 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.286 -0.565 . . . . 0.0 110.388 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.706 HD21 HD22 ' B' ' 77' ' ' LEU . 92.0 mt -67.12 -37.09 83.27 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.041 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.546 ' OD1' HG22 ' B' ' 69' ' ' VAL . 99.7 m-20 -92.82 34.95 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.003 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -51.01 -31.0 16.77 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 121.52 0.676 . . . . 0.0 109.373 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.56 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 10.7 m120 -52.76 -31.24 37.15 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.834 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.95 4.27 56.77 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 108.163 -1.975 . . . . 0.0 108.163 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.59 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 54.1 p30 -90.03 126.55 35.8 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 122.178 0.99 . . . . 0.0 110.479 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -53.78 -25.36 29.34 Favored Glycine 0 C--N 1.305 -1.177 0 CA-C-N 114.359 -1.291 . . . . 0.0 110.59 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -94.67 145.05 25.11 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.669 0.747 . . . . 0.0 110.799 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.546 HG22 ' OD1' ' B' ' 62' ' ' ASP . 58.4 t -102.53 131.7 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.187 -178.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -83.78 142.62 30.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.481 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.617 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 40.2 t80 -56.03 -41.36 74.85 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.372 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -57.54 -41.24 80.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.902 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.56 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 98.5 mt-10 -66.67 -40.02 88.43 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.116 0.484 . . . . 0.0 110.738 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.531 ' O ' HG23 ' B' ' 78' ' ' VAL . 88.9 t80 -65.55 -45.71 82.32 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 1.009 HG12 ' HB1' ' A' ' 79' ' ' ALA . 58.8 t -63.43 -42.51 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.469 HG13 HG13 ' A' ' 76' ' ' VAL . 58.5 t -61.03 -44.49 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.63 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.706 HD22 HD21 ' B' ' 61' ' ' LEU . 30.2 tp -63.66 -39.49 94.46 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.654 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 74' ' ' TYR . 53.5 t -59.9 -39.03 78.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.05 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 1.02 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -57.81 -40.38 79.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.568 -178.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.64 -41.51 79.33 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.346 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.6 mt -64.67 -40.56 95.63 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.552 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.5 t -64.05 -40.45 96.32 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 118.872 -1.131 . . . . 0.0 109.791 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.481 HG22 ' CE2' ' A' ' 71' ' ' PHE . 69.9 t -62.29 -41.83 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.54 -31.32 72.48 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.242 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.552 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -54.1 -34.83 61.22 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.073 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.428 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 49.7 t-20 -56.16 -37.36 69.44 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.124 0.488 . . . . 0.0 110.435 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.514 -179.383 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 m . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.842 0.353 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.64 -34.96 76.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.294 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.49 HD22 ' OE1' ' B' ' 40' ' ' GLU . 39.1 tp -59.08 -40.0 83.88 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.519 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.65 -40.72 88.63 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.342 -0.943 . . . . 0.0 108.667 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.1 m -65.83 -37.49 86.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.922 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.64 84.75 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.921 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.9 mtm -58.43 -41.03 84.14 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 118.867 -1.133 . . . . 0.0 109.122 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.495 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 98.3 mt-10 -67.78 -35.7 79.14 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.878 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.915 ' O ' HG23 ' A' ' 14' ' ' VAL . 45.7 m -61.92 -43.81 98.07 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.088 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.413 ' CD2' ' CD1' ' B' ' 4' ' ' LEU . 80.5 mt -61.51 -46.6 89.28 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.711 0.767 . . . . 0.0 111.03 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.602 HD13 HD21 ' B' ' 86' ' ' ASN . 74.3 mt -65.57 -42.53 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.75 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 2.2 m120 -59.05 -38.49 79.5 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.915 HG23 ' O ' ' A' ' 10' ' ' THR . 88.9 t -64.73 -43.01 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.152 178.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 89.6 t80 -59.28 -50.12 75.2 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.845 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -59.97 -38.62 83.04 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.401 -0.519 . . . . 0.0 111.717 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.76 -39.9 95.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.745 ' HB2' HD21 ' A' ' 36' ' ' LEU . 96.7 m-70 -101.43 -48.37 4.37 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -178.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.496 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 24.7 m -58.07 -34.93 70.66 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.543 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.67 -30.24 62.27 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.655 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -57.71 -38.61 75.54 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -127.5 150.38 49.7 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.42 0.629 . . . . 0.0 112.217 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.47 -159.21 11.85 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -72.7 141.57 48.22 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.895 0.378 . . . . 0.0 110.336 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.01 -39.81 87.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.771 0.796 . . . . 0.0 110.176 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.1 m-30 -74.06 -19.07 60.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.431 -175.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HZ3' ' HG2' ' A' ' 68' ' ' GLU . 20.8 tptm -112.99 140.26 47.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.315 -178.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 29' ' ' SER . 4.9 tt -97.46 130.68 44.54 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -178.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.6 ' N ' HD23 ' A' ' 28' ' ' LEU . 35.8 t -101.76 151.38 22.12 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.983 0.42 . . . . 0.0 111.26 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HZ1' ' HG2' ' A' ' 58' ' ' MET . 69.1 tttt -53.5 -40.46 65.41 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.866 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.02 -48.29 82.12 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 119.153 -1.019 . . . . 0.0 110.167 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.557 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.8 mt-10 -61.79 -37.19 83.44 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.454 -177.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.24 -45.16 94.56 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.0 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.661 ' HZ2' ' NE2' ' A' ' 38' ' ' GLN . 19.5 tptt -60.11 -41.55 92.82 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.311 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.435 ' O ' HG22 ' A' ' 39' ' ' THR . 78.0 mm-40 -69.35 -38.96 78.36 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 114.537 -1.21 . . . . 0.0 112.314 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 18' ' ' HIS . 86.3 mt -66.75 -50.08 63.91 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 119.316 -0.954 . . . . 0.0 112.226 178.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.519 HD21 ' OH ' ' A' ' 74' ' ' TYR . 63.2 mt -68.17 -42.87 79.34 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.439 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.661 ' NE2' ' HZ2' ' A' ' 34' ' ' LYS . 51.3 tt0 -64.17 -43.05 96.32 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -178.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.488 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.6 t -84.15 -46.58 11.77 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.505 -0.878 . . . . 0.0 112.238 -178.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.679 ' C ' HD12 ' A' ' 41' ' ' LEU . 95.7 mt-10 -73.7 -34.09 64.68 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.841 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.679 HD12 ' C ' ' A' ' 40' ' ' GLU . 9.0 mp -122.65 51.85 1.37 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.72 0.295 . . . . 0.0 110.819 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.8 p -58.28 -25.47 61.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.849 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.48 -69.32 1.27 Allowed Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.734 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.98 -43.43 86.54 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.671 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -92.16 -2.98 56.25 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.529 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 56.1 p30 -20.77 76.56 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.722 0.773 . . . . 0.0 112.626 -177.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -63.34 -27.21 69.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.185 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -52.48 -37.18 56.59 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.427 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.521 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 71.5 mmtt -58.97 -38.03 78.15 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.521 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.9 m-20 -142.87 89.49 2.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.67 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.29 -39.57 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.047 0.451 . . . . 0.0 110.422 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -56.06 -33.46 65.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.998 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.04 -29.45 65.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.014 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.91 -44.56 82.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.198 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -61.3 -41.22 96.62 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.035 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.97 -39.05 84.33 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.821 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.88 -44.5 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.23 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.528 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 ppp? -65.28 -38.45 90.31 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.891 -0.724 . . . . 0.0 111.765 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.35 -38.02 79.33 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.719 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.89 -38.46 91.16 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.837 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 70.4 mt -68.05 -35.65 78.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.335 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.538 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 96.7 m-20 -97.5 34.95 1.72 Allowed 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.272 -0.876 . . . . 0.0 113.104 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -49.76 -30.37 9.38 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.326 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.547 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 11.4 m120 -53.13 -34.39 56.56 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.538 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.41 3.89 62.8 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.697 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.7 p30 -61.44 -36.09 79.4 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 114.814 -0.693 . . . . 0.0 112.171 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.697 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 91.96 -6.7 79.24 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.538 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 39.9 tp10 -118.64 149.0 42.13 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.516 ' O ' ' O ' ' A' ' 28' ' ' LEU . 48.4 t -101.12 129.54 51.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.807 0.813 . . . . 0.0 111.992 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -95.32 129.96 42.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.298 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.569 ' CE2' ' CG2' ' A' ' 75' ' ' VAL . 90.6 t80 -52.05 -40.88 61.77 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.358 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -56.57 -41.3 76.68 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.667 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.547 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.6 mt-10 -66.84 -38.71 86.93 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 120.999 0.428 . . . . 0.0 110.592 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.59 ' CE2' HG21 ' A' ' 78' ' ' VAL . 92.2 t80 -63.08 -42.05 99.55 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 1.017 HG12 ' HB1' ' B' ' 79' ' ' ALA . 73.6 t -59.46 -42.35 87.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.315 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.23 -43.1 97.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.294 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.575 ' O ' HD13 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -64.28 -40.1 95.28 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 120.932 0.396 . . . . 0.0 110.408 -179.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.59 HG21 ' CE2' ' A' ' 74' ' ' TYR . 54.6 t -61.21 -39.36 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 120.357 -0.537 . . . . 0.0 112.176 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 1.023 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -59.22 -38.92 81.14 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -177.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.12 -43.69 73.9 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.776 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -67.93 -38.93 83.48 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 78' ' ' VAL . 1.4 t -58.93 -43.07 91.11 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 119.12 -1.032 . . . . 0.0 109.951 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.467 ' CG2' HG21 ' B' ' 75' ' ' VAL . 95.6 t -63.96 -41.15 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.13 0.49 . . . . 0.0 109.935 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.9 -31.54 72.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.456 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 70.9 m -54.72 -35.78 64.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.824 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.614 HD21 HD13 ' B' ' 12' ' ' ILE . 25.0 m120 -56.39 -34.17 66.45 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.771 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 C--O 1.224 -0.247 0 CA-C-O 121.603 0.716 . . . . 0.0 109.224 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.0 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.848 0.356 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.73 -34.89 76.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.252 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.481 HD22 ' OE1' ' A' ' 40' ' ' GLU . 39.1 tp -59.24 -39.9 84.23 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.464 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.65 -40.77 88.8 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 119.459 -0.896 . . . . 0.0 108.648 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.2 m -65.81 -37.56 86.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.938 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.56 -46.75 84.49 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.909 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.0 mtm -58.34 -40.98 83.61 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 118.838 -1.145 . . . . 0.0 109.136 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.487 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 98.4 mt-10 -67.84 -35.75 79.14 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.872 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.9 ' O ' HG23 ' B' ' 14' ' ' VAL . 45.3 m -61.93 -43.77 98.16 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.082 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.418 ' CD2' ' CD1' ' A' ' 4' ' ' LEU . 80.4 mt -61.55 -46.55 89.43 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 121.701 0.762 . . . . 0.0 111.089 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.614 HD13 HD21 ' A' ' 86' ' ' ASN . 74.3 mt -65.59 -42.41 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.851 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 2.2 m120 -59.18 -38.49 79.92 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 10' ' ' THR . 88.3 t -64.65 -43.07 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.2 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.554 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 89.6 t80 -59.22 -50.13 75.2 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.862 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -59.94 -38.55 82.76 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.793 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.93 95.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.745 ' HB2' HD21 ' B' ' 36' ' ' LEU . 96.7 m-70 -101.36 -48.34 4.4 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -177.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.495 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 24.9 m -58.17 -34.9 70.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.512 -177.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.71 -30.2 62.34 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.699 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -57.72 -38.58 75.54 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.554 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.9 mm-40 -127.56 150.42 49.71 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.408 0.623 . . . . 0.0 112.271 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.43 -159.11 11.81 Favored Glycine 0 CA--C 1.519 0.341 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.75 141.55 48.14 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.91 0.386 . . . . 0.0 110.317 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.14 -39.71 87.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.742 0.782 . . . . 0.0 110.17 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.567 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.1 m-30 -74.05 -19.02 60.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.025 -1.443 . . . . 0.0 112.488 -176.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.528 ' HZ3' ' HG2' ' B' ' 68' ' ' GLU . 20.8 tptm -112.99 140.23 47.98 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.343 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.604 HD23 ' N ' ' B' ' 29' ' ' SER . 4.9 tt -97.57 130.59 44.6 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.604 ' N ' HD23 ' B' ' 28' ' ' LEU . 35.9 t -101.65 151.45 22.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.879 0.371 . . . . 0.0 111.308 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.483 ' HZ1' ' HG2' ' B' ' 58' ' ' MET . 69.0 tttt -53.61 -40.37 65.67 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.898 -178.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.06 -48.31 82.07 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.127 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.554 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.8 mt-10 -61.89 -37.14 83.49 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.403 -177.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.12 -45.23 94.41 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.087 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.659 ' HZ2' ' NE2' ' B' ' 38' ' ' GLN . 19.5 tptt -60.0 -41.66 92.59 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.339 178.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.447 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -69.21 -39.06 78.82 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 114.495 -1.23 . . . . 0.0 112.397 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' B' ' 18' ' ' HIS . 86.7 mt -66.72 -50.13 63.79 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.33 -0.948 . . . . 0.0 112.207 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.518 HD21 ' OH ' ' B' ' 74' ' ' TYR . 63.2 mt -68.21 -42.83 79.26 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.257 -0.977 . . . . 0.0 111.36 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.659 ' NE2' ' HZ2' ' B' ' 34' ' ' LYS . 51.4 tt0 -64.31 -42.94 96.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.6 t -84.15 -46.55 11.8 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.597 -0.841 . . . . 0.0 112.263 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.679 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.8 mt-10 -73.7 -34.13 64.7 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.848 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.679 HD12 ' C ' ' B' ' 40' ' ' GLU . 9.0 mp -122.65 51.8 1.38 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.694 0.283 . . . . 0.0 110.816 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -58.21 -25.56 61.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.847 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.39 -69.45 1.27 Allowed Glycine 0 CA--C 1.531 1.068 0 N-CA-C 111.639 -0.584 . . . . 0.0 111.639 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.94 -43.37 86.32 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.689 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.4 OUTLIER -92.15 -3.1 56.1 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.537 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 56.0 p30 -20.61 76.5 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.697 0.76 . . . . 0.0 112.6 -177.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.689 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -63.32 -27.23 69.18 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.181 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -52.45 -37.26 56.52 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.412 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.516 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 71.5 mmtt -58.81 -38.15 77.97 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.516 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.7 m-20 -142.84 89.54 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.674 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.27 -39.6 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.008 0.433 . . . . 0.0 110.448 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -56.13 -33.39 65.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.036 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.96 -29.59 65.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.036 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.75 -44.65 82.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.226 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.33 -41.16 96.58 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.024 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.98 -39.06 84.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.908 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.5 t -66.88 -44.58 88.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.107 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.541 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -65.25 -38.51 90.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.706 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.3 -38.03 79.21 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 119.766 -0.774 . . . . 0.0 111.718 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.8 -38.51 91.36 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.882 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.482 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 70.3 mt -67.95 -35.73 78.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.448 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.54 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 96.7 m-20 -97.51 35.04 1.71 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.182 -0.917 . . . . 0.0 113.06 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -49.75 -30.43 9.47 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.312 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.55 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 11.5 m120 -53.09 -34.44 56.62 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.519 -178.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.37 4.03 62.79 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 108.705 -1.758 . . . . 0.0 108.705 -177.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.692 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.9 p30 -61.49 -36.02 79.31 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 114.782 -0.709 . . . . 0.0 112.185 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.692 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 92.0 -6.77 79.15 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.54 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 39.9 tp10 -118.66 148.89 42.26 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.521 ' O ' ' O ' ' B' ' 28' ' ' LEU . 48.1 t -101.01 129.55 51.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.828 0.823 . . . . 0.0 112.017 -178.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -95.36 130.02 42.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.33 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.573 ' CE2' ' CG2' ' B' ' 75' ' ' VAL . 90.7 t80 -52.13 -40.81 61.89 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.019 -0.672 . . . . 0.0 111.388 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -56.51 -41.28 76.45 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.463 -0.895 . . . . 0.0 109.666 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.55 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.7 mt-10 -66.91 -38.72 86.75 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 178.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.59 ' CE2' HG21 ' B' ' 78' ' ' VAL . 92.3 t80 -63.09 -42.07 99.53 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 1.023 HG12 ' HB1' ' A' ' 79' ' ' ALA . 73.5 t -59.51 -42.23 87.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.304 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 73.6 t -64.22 -43.15 97.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.381 -0.527 . . . . 0.0 111.302 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.567 ' O ' HD13 ' B' ' 77' ' ' LEU . 0.2 OUTLIER -64.27 -40.1 95.28 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.983 0.421 . . . . 0.0 110.394 -178.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.59 HG21 ' CE2' ' B' ' 74' ' ' TYR . 54.8 t -61.19 -39.41 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.195 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 1.017 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -59.16 -38.89 80.81 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.744 -0.383 . . . . 0.0 112.027 -177.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.07 -43.72 74.02 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.829 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 0.6 OUTLIER -67.92 -38.93 83.49 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -178.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.474 HG22 ' O ' ' B' ' 78' ' ' VAL . 1.4 t -58.95 -43.1 91.22 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 119.206 -0.998 . . . . 0.0 109.877 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' A' ' 75' ' ' VAL . 95.8 t -63.99 -41.14 91.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.166 0.507 . . . . 0.0 109.928 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -31.64 72.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.358 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 70.9 m -54.64 -35.82 63.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.864 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.602 HD21 HD13 ' A' ' 12' ' ' ILE . 24.9 m120 -56.37 -34.17 66.4 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.743 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 57.9 t30 . . . . . 0 C--O 1.226 -0.169 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.881 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 p . . . . . 0 CA--C 1.504 -0.818 0 CA-C-O 121.957 0.884 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' A' ' 3' ' ' GLU . 18.9 mt-10 -58.57 -32.35 68.84 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 113.804 -1.544 . . . . 0.0 111.268 -177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.443 HD23 HD13 ' B' ' 41' ' ' LEU . 42.7 tp -57.29 -41.72 80.35 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.437 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.503 ' OE2' ' O ' ' B' ' 40' ' ' GLU . 97.4 mt-10 -63.93 -39.27 93.77 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 119.626 -0.829 . . . . 0.0 109.598 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 m -64.74 -39.52 93.78 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.305 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.28 -48.16 71.31 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.811 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.442 ' SD ' HD21 ' B' ' 41' ' ' LEU . 47.1 mtm -57.68 -42.45 83.66 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 118.32 -1.352 . . . . 0.0 108.985 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.5 -38.42 87.19 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.131 -177.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.5 m -61.58 -43.0 99.66 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.8 -46.15 88.26 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 119.697 -0.801 . . . . 0.0 110.165 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.474 ' CD1' HD21 ' B' ' 86' ' ' ASN . 77.3 mt -64.01 -40.69 89.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.389 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -60.25 -40.34 89.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.243 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.584 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 33.9 m -78.96 -47.3 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 119.414 -0.914 . . . . 0.0 112.659 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.434 ' N ' HG23 ' A' ' 14' ' ' VAL . 65.1 m-85 -65.59 -38.71 90.27 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 119.438 -0.905 . . . . 0.0 111.153 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.448 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 85.4 t60 -59.88 -44.94 93.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.626 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.67 -51.7 39.1 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.82 ' CG ' HD21 ' A' ' 36' ' ' LEU . 53.1 m80 -61.52 -43.31 99.09 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.0 m -58.41 -35.26 71.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 111.568 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.11 -28.55 58.63 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.539 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -56.5 -40.27 74.69 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.358 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.514 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.1 mt-10 -143.83 138.55 28.75 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.891 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.91 -166.14 54.73 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -72.14 145.94 47.77 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.948 0.404 . . . . 0.0 110.072 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -59.3 -35.55 73.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.737 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.574 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -88.17 -4.55 58.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.133 -177.437 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.618 ' HZ1' ' CD ' ' A' ' 68' ' ' GLU . 19.9 tptm -114.61 131.25 56.76 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.374 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.512 ' O ' ' O ' ' A' ' 69' ' ' VAL . 25.4 mt -99.3 135.13 41.16 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.519 0.676 . . . . 0.0 111.637 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.9 p -101.85 160.91 14.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.464 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.39 -39.24 69.9 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.446 -0.901 . . . . 0.0 110.255 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -62.37 -53.2 58.4 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.754 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.0 mt-10 -63.82 -41.03 97.95 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.713 -176.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.554 HD21 ' CD1' ' A' ' 61' ' ' LEU . 55.4 tp -63.86 -45.84 87.66 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.829 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.648 ' HZ1' ' NE2' ' A' ' 38' ' ' GLN . 17.7 tptp -60.78 -42.16 96.98 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 121.845 0.831 . . . . 0.0 110.97 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 39' ' ' THR . 78.4 mm-40 -70.06 -38.16 75.7 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 114.672 -1.149 . . . . 0.0 112.289 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.82 HD21 ' CG ' ' A' ' 18' ' ' HIS . 65.2 mt -68.19 -45.94 72.04 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.656 -0.818 . . . . 0.0 112.204 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.432 HD21 ' OH ' ' A' ' 74' ' ' TYR . 71.7 mt -69.62 -44.98 69.56 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.492 -0.883 . . . . 0.0 110.639 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.648 ' NE2' ' HZ1' ' A' ' 34' ' ' LYS . 51.8 tt0 -64.69 -41.9 95.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.903 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.3 t -81.84 -47.17 13.15 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.936 -0.706 . . . . 0.0 112.402 -178.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.746 ' C ' HD12 ' A' ' 41' ' ' LEU . 75.9 mm-40 -72.91 -34.68 66.79 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 119.603 -0.839 . . . . 0.0 111.297 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.746 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.9 mp -123.98 58.06 1.19 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.752 0.311 . . . . 0.0 110.529 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.8 m -55.16 -32.77 62.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.639 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.4 -68.36 1.4 Allowed Glycine 0 CA--C 1.53 1.01 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.272 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -58.28 -43.44 87.98 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 47' ' ' ALA . 1.5 mm? -91.35 -3.63 56.57 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.4 t0 -22.58 75.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.672 0.607 . . . . 0.0 112.435 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.697 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -68.79 -20.42 64.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.061 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -55.43 -35.16 65.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.686 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.506 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 52.2 mtmt -58.49 -35.66 72.56 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.056 -0.658 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.5 m-20 -140.01 94.12 2.72 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.1 t -59.49 -44.65 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.188 0.518 . . . . 0.0 111.402 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.25 -33.73 71.38 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.49 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.23 -28.65 65.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.944 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.58 -44.8 81.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.205 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 58' ' ' MET . 90.0 m-20 -62.26 -40.96 97.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.374 0.607 . . . . 0.0 110.245 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -59.46 -39.49 83.84 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.618 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.4 t -67.59 -45.24 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.96 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.564 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.1 ppp? -62.68 -37.69 87.44 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.838 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -57.0 -38.3 72.88 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 118.368 -1.333 . . . . 0.0 108.978 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -65.99 -36.38 83.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.044 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.746 HD23 HD12 ' A' ' 77' ' ' LEU . 75.4 mt -66.48 -37.74 85.76 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.24 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.501 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 38.6 t0 -84.49 100.06 11.11 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.173 -1.011 . . . . 0.0 112.657 -178.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -69.58 -39.69 77.17 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.504 0.668 . . . . 0.0 110.776 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.488 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 22.9 m120 -59.78 -36.73 77.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.634 -1.166 . . . . 0.0 112.321 -177.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.0 3.99 69.61 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.642 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.7 p30 -62.35 -31.45 72.08 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 114.312 -0.944 . . . . 0.0 112.172 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.642 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 100.45 -4.74 56.9 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.618 ' CD ' ' HZ1' ' A' ' 27' ' ' LYS . 80.6 tt0 -116.84 143.35 45.79 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.512 ' O ' ' O ' ' A' ' 28' ' ' LEU . 53.2 t -106.33 134.58 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.5 0.667 . . . . 0.0 112.339 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.2 t0 -105.82 151.95 23.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.408 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 81.4 t80 -53.17 -41.46 65.23 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.048 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.529 ' O ' HG22 ' A' ' 75' ' ' VAL . 63.2 tt0 -58.14 -41.55 83.93 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.225 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.488 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 97.8 mt-10 -68.48 -40.24 81.05 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.473 0.654 . . . . 0.0 110.984 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.432 ' OH ' HD21 ' A' ' 37' ' ' LEU . 90.4 t80 -62.74 -40.56 97.6 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 72' ' ' GLN . 33.5 m -64.3 -32.77 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.95 -50.46 77.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 118.746 -1.182 . . . . 0.0 111.883 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.746 HD12 HD23 ' A' ' 61' ' ' LEU . 50.9 mt -76.11 -35.66 59.21 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 p -55.49 -34.83 35.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 119.325 -0.95 . . . . 0.0 110.333 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.432 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.08 -37.89 81.25 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.57 -40.55 76.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.509 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.87 -39.48 94.57 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.543 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.556 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -61.35 -41.62 97.35 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 119.26 -0.976 . . . . 0.0 109.686 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.2 t -62.37 -41.59 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.27 -30.31 71.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.059 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -54.89 -36.04 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.177 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.471 HD21 ' CD1' ' B' ' 12' ' ' ILE . 2.9 m120 -57.13 -34.65 68.61 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.457 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.762 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.8 p . . . . . 0 CA--C 1.504 -0.805 0 CA-C-O 122.056 0.931 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -58.55 -32.39 68.86 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.269 -177.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.438 HD23 HD13 ' A' ' 41' ' ' LEU . 42.7 tp -57.31 -41.68 80.36 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.49 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' A' ' 40' ' ' GLU . 97.4 mt-10 -63.98 -39.19 93.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.667 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' B' ' 10' ' ' THR . 45.9 m -64.75 -39.56 93.83 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.394 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.3 71.2 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.743 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.45 ' SD ' HD21 ' A' ' 41' ' ' LEU . 47.2 mtm -57.63 -42.49 83.48 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 118.328 -1.349 . . . . 0.0 108.996 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.44 -38.46 87.46 Favored 'General case' 0 N--CA 1.436 -1.125 0 CA-C-N 113.792 -1.549 . . . . 0.0 110.186 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 6' ' ' THR . 45.9 m -61.51 -42.98 99.62 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.212 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.0 mt -58.87 -46.15 88.47 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.107 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.471 ' CD1' HD21 ' A' ' 86' ' ' ASN . 77.2 mt -64.05 -40.6 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.471 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -60.35 -40.33 90.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.192 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.59 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 33.8 m -78.99 -47.2 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.653 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.446 ' N ' HG23 ' B' ' 14' ' ' VAL . 65.3 m-85 -65.67 -38.74 90.14 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 119.506 -0.878 . . . . 0.0 111.087 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.446 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 85.3 t60 -59.99 -44.72 94.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.568 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.85 -51.62 38.56 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.818 ' CG ' HD21 ' B' ' 36' ' ' LEU . 53.0 m80 -61.7 -43.29 99.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.0 m -58.34 -35.34 71.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.856 0.36 . . . . 0.0 111.576 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.0 -28.55 58.32 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.65 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -56.52 -40.3 74.82 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.376 -178.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.504 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.1 mt-10 -143.81 138.5 28.76 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.916 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.89 -166.13 54.72 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -72.09 145.91 47.87 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.906 0.384 . . . . 0.0 110.042 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.4 ' HD3' ' CE1' ' B' ' 16' ' ' HIS . 69.1 mttt -59.29 -35.49 73.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.757 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.555 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 1.0 OUTLIER -88.23 -4.54 58.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.061 -177.348 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.621 ' HZ1' ' CD ' ' B' ' 68' ' ' GLU . 19.9 tptm -114.65 131.25 56.79 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.346 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.514 ' O ' ' O ' ' B' ' 69' ' ' VAL . 25.7 mt -99.26 135.05 41.23 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.481 0.658 . . . . 0.0 111.67 178.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.6 p -101.69 160.93 14.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.603 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.4 -39.31 70.02 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.531 -0.868 . . . . 0.0 110.197 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -62.38 -53.18 58.76 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.73 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.504 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.0 mt-10 -63.8 -41.11 97.97 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 119.352 -0.939 . . . . 0.0 110.608 -176.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.554 HD21 ' CD1' ' B' ' 61' ' ' LEU . 55.6 tp -63.95 -45.72 87.89 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.8 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.661 ' HZ1' ' NE2' ' B' ' 38' ' ' GLN . 17.8 tptp -60.86 -42.05 97.09 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 121.877 0.846 . . . . 0.0 111.035 178.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.415 ' O ' HG22 ' B' ' 39' ' ' THR . 78.3 mm-40 -70.0 -38.23 75.92 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 114.696 -1.138 . . . . 0.0 112.349 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.818 HD21 ' CG ' ' B' ' 18' ' ' HIS . 65.6 mt -68.25 -45.85 72.07 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.605 -0.838 . . . . 0.0 112.244 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.432 HD21 ' OH ' ' B' ' 74' ' ' TYR . 71.9 mt -69.59 -45.1 69.4 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.653 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.661 ' NE2' ' HZ1' ' B' ' 34' ' ' LYS . 51.7 tt0 -64.58 -41.92 95.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.969 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.3 t -81.85 -47.05 13.28 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.857 -0.737 . . . . 0.0 112.487 -178.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.744 ' C ' HD12 ' B' ' 41' ' ' LEU . 75.9 mm-40 -72.95 -34.72 66.7 Favored 'General case' 0 N--CA 1.46 0.072 0 C-N-CA 119.66 -0.816 . . . . 0.0 111.251 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.744 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.9 mp -123.93 58.01 1.18 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.716 0.293 . . . . 0.0 110.558 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 24.0 m -55.19 -32.79 62.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.638 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.3 -68.35 1.41 Allowed Glycine 0 CA--C 1.53 0.98 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.341 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -58.35 -43.36 88.29 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' B' ' 47' ' ' ALA . 1.5 mm? -91.43 -3.6 56.48 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.3 t0 -22.5 75.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.642 0.589 . . . . 0.0 112.562 -177.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.698 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -68.83 -20.4 64.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.041 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -55.53 -35.03 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.72 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.504 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 52.1 mtmt -58.54 -35.67 72.68 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.004 -0.678 . . . . 0.0 111.183 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 91.4 m-20 -139.94 94.21 2.74 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 40.1 t -59.52 -44.61 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 111.403 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.27 -33.83 71.53 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.422 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.14 -28.68 64.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.933 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.61 -44.81 81.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.117 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.417 ' O ' ' HG3' ' B' ' 58' ' ' MET . 89.9 m-20 -62.26 -40.96 97.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.42 0.629 . . . . 0.0 110.276 178.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -59.41 -39.56 83.84 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.688 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 68.9 t -67.49 -45.24 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.038 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.554 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.0 ppp? -62.61 -37.78 87.59 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.04 -0.664 . . . . 0.0 111.812 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -57.04 -38.36 73.1 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 118.327 -1.349 . . . . 0.0 108.931 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.93 -36.29 82.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.092 177.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.749 HD23 HD12 ' B' ' 77' ' ' LEU . 75.5 mt -66.65 -37.55 85.03 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.296 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.484 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 38.5 t0 -84.51 100.06 11.12 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.122 -1.031 . . . . 0.0 112.669 -178.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -69.53 -39.77 77.28 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.558 0.694 . . . . 0.0 110.762 176.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.484 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 22.9 m120 -59.79 -36.68 77.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.297 -177.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.99 3.95 69.69 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 108.282 -1.927 . . . . 0.0 108.282 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.641 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.8 p30 -62.36 -31.46 72.11 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 114.328 -0.936 . . . . 0.0 112.104 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.641 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 100.41 -4.55 56.89 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.621 ' CD ' ' HZ1' ' B' ' 27' ' ' LYS . 80.8 tt0 -116.95 143.4 45.76 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' B' ' 28' ' ' LEU . 52.6 t -106.38 134.47 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.51 0.671 . . . . 0.0 112.302 -178.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.3 t0 -105.79 152.05 23.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.385 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.517 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 81.4 t80 -53.23 -41.51 65.48 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.061 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.529 ' O ' HG22 ' B' ' 75' ' ' VAL . 63.2 tt0 -58.08 -41.57 83.7 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.239 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.484 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 97.8 mt-10 -68.47 -40.21 81.1 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.392 0.615 . . . . 0.0 111.05 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.432 ' OH ' HD21 ' B' ' 37' ' ' LEU . 90.3 t80 -62.81 -40.43 97.35 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.529 HG22 ' O ' ' B' ' 72' ' ' GLN . 33.6 m -64.38 -32.73 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.9 -50.47 77.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 118.809 -1.157 . . . . 0.0 111.887 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.749 HD12 HD23 ' B' ' 61' ' ' LEU . 50.7 mt -76.27 -35.58 58.85 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 p -55.26 -35.0 34.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 119.414 -0.915 . . . . 0.0 110.394 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.434 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.07 -37.91 81.3 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.54 -40.56 76.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.454 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.84 -39.48 94.49 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.563 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.0 OUTLIER -61.39 -41.54 97.3 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 119.106 -1.038 . . . . 0.0 109.724 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.44 -41.51 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.28 -30.37 71.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.988 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.563 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -54.88 -35.98 64.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.196 -179.579 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.474 HD21 ' CD1' ' A' ' 12' ' ' ILE . 2.9 m120 -57.13 -34.7 68.66 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.429 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.683 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.82 0.343 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.64 -34.74 76.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.319 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.549 HD23 HD11 ' B' ' 41' ' ' LEU . 31.5 tp -58.81 -39.55 81.52 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.033 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.18 -40.65 86.3 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 119.371 -0.932 . . . . 0.0 108.607 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.9 m -65.96 -37.59 86.38 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.955 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.96 83.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.866 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.5 mtm -58.47 -40.42 82.65 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 118.949 -1.1 . . . . 0.0 109.103 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.576 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.8 mt-10 -66.87 -36.55 82.58 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.205 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.871 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.8 m -61.54 -43.3 99.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.106 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.83 -46.19 90.55 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 120.091 -0.643 . . . . 0.0 111.203 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.66 -43.33 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.742 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.576 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 86.0 m-20 -59.58 -38.19 80.52 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.933 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 10' ' ' THR . 95.8 t -65.05 -43.84 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 90.2 t80 -59.99 -46.55 89.1 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.023 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -60.61 -40.17 90.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.045 0.45 . . . . 0.0 111.002 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.99 98.97 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.776 ' HB2' HD21 ' A' ' 36' ' ' LEU . 96.0 m-70 -103.38 -42.22 5.78 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -177.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -61.31 -32.59 72.45 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.096 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.79 -31.98 80.13 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.512 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -58.05 -36.75 73.23 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.52 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 78.1 mm-40 -127.61 147.81 50.36 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.696 0.76 . . . . 0.0 112.972 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.3 -141.58 43.72 Favored Glycine 0 CA--C 1.521 0.451 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.813 177.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -83.21 128.95 34.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.479 -0.861 . . . . 0.0 110.422 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -56.31 -38.7 71.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.566 0.698 . . . . 0.0 110.056 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.582 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 m-30 -74.19 -20.41 60.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.466 -1.243 . . . . 0.0 113.014 -176.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -113.89 144.89 42.28 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.884 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.529 ' O ' ' O ' ' A' ' 69' ' ' VAL . 4.9 tt -102.5 128.55 49.08 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.509 ' N ' HD23 ' A' ' 28' ' ' LEU . 84.2 p -102.16 159.78 15.09 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.971 0.415 . . . . 0.0 111.454 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -54.45 -39.07 67.07 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.577 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -60.19 -49.75 76.41 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.847 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 98.5 mt-10 -62.49 -38.16 88.79 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.261 -177.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.7 tp -62.9 -44.07 97.08 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.48 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.534 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 4.8 tptp -59.39 -41.53 89.59 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.613 178.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 39' ' ' THR . 78.3 mm-40 -71.24 -40.72 70.85 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.702 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.776 HD21 ' HB2' ' A' ' 18' ' ' HIS . 95.0 mt -64.4 -47.93 77.32 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.288 -0.965 . . . . 0.0 111.903 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.592 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 5.5 mp -70.65 -42.78 70.38 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.698 -0.801 . . . . 0.0 112.09 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.534 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.0 tt0 -62.56 -41.73 99.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.4 t -86.61 -45.72 10.77 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.646 -0.822 . . . . 0.0 112.562 -179.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.615 ' C ' HD12 ' A' ' 41' ' ' LEU . 95.8 mt-10 -73.67 -33.53 64.49 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 120.236 -0.586 . . . . 0.0 112.494 -177.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.615 HD12 ' C ' ' A' ' 40' ' ' GLU . 7.2 mp -120.54 43.48 2.73 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.053 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.8 p -57.11 -24.7 55.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.682 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.43 -69.12 1.31 Allowed Glycine 0 CA--C 1.533 1.208 0 C-N-CA 121.193 -0.527 . . . . 0.0 111.907 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.97 -43.13 86.29 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.586 HD13 HD23 ' A' ' 41' ' ' LEU . 8.8 mp -94.03 -0.31 55.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.571 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 53.2 p30 -20.93 120.77 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 122.402 1.096 . . . . 0.0 112.798 -177.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.605 ' O ' HG22 ' A' ' 51' ' ' VAL . . . -66.18 -18.24 65.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.013 -1.448 . . . . 0.0 112.215 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.34 -34.99 62.23 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.109 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -112.43 141.14 46.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 56.28 50.93 12.39 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.222 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 47' ' ' ALA . 61.3 t -53.12 -37.48 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.682 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 49.4 p30 -78.93 9.57 4.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.785 0.326 . . . . 0.0 110.987 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.499 ' O ' HG13 ' A' ' 57' ' ' VAL . . . -59.95 -30.8 69.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.151 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.53 HG21 ' HD3' ' A' ' 34' ' ' LYS . 78.0 t -57.62 -47.82 84.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.344 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -65.8 -43.62 88.13 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.734 0.778 . . . . 0.0 110.736 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 21.0 mtmm -59.0 -40.79 85.99 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.912 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 53' ' ' ALA . 15.8 m -76.56 -37.09 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.217 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.581 ' C ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -59.56 -39.33 83.68 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.247 179.717 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 58' ' ' MET . 68.5 mttm -58.15 -38.51 76.73 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 118.823 -1.151 . . . . 0.0 109.707 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.44 -37.1 85.89 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.141 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.621 HD21 HD22 ' A' ' 77' ' ' LEU . 59.1 mt -67.03 -35.6 80.24 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.407 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.617 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 48.7 t0 -70.77 82.43 0.63 Allowed 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.985 -177.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.73 -38.18 88.44 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.174 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.462 ' ND2' ' OD2' ' A' ' 66' ' ' ASP . 33.2 p-10 -89.05 1.54 55.4 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.118 -0.633 . . . . 0.0 112.468 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.473 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 74.22 27.17 66.61 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.254 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.617 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 55.2 p30 -104.95 155.18 19.18 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 122.291 1.043 . . . . 0.0 110.048 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.8 -28.28 62.93 Favored Glycine 0 C--N 1.298 -1.577 0 CA-C-N 113.828 -1.533 . . . . 0.0 112.287 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.528 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 42.3 tp10 -95.37 146.62 24.26 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.502 0.668 . . . . 0.0 111.945 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.529 ' O ' ' O ' ' A' ' 28' ' ' LEU . 47.0 t -110.31 135.26 49.92 Favored 'Isoleucine or valine' 0 C--N 1.338 0.093 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.243 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 56.9 t0 -99.06 145.39 27.16 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.431 0.634 . . . . 0.0 111.401 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.559 ' CE2' ' CG2' ' A' ' 75' ' ' VAL . 90.0 t80 -52.24 -39.81 60.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.892 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -56.84 -40.62 76.41 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.859 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.487 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 99.6 mt-10 -65.95 -41.98 90.55 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.448 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.582 ' CZ ' ' CG2' ' A' ' 78' ' ' VAL . 82.2 t80 -64.85 -41.31 95.81 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.988 HG12 ' HB1' ' B' ' 79' ' ' ALA . 78.8 t -58.29 -40.96 79.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.181 -0.608 . . . . 0.0 111.519 -177.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.21 -43.54 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.597 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.621 HD22 HD21 ' A' ' 61' ' ' LEU . 29.3 tp -63.86 -39.83 95.13 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.816 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.595 ' O ' HG22 ' A' ' 82' ' ' THR . 53.1 t -58.71 -40.29 79.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.887 -179.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 1.018 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -60.3 -39.54 87.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.106 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.29 -43.87 66.29 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.366 -0.534 . . . . 0.0 111.704 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.92 -40.03 94.43 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 78' ' ' VAL . 1.6 t -62.2 -42.6 99.44 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.763 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.465 HG23 HG11 ' B' ' 75' ' ' VAL . 89.6 t -63.9 -41.52 92.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.882 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.93 -33.33 75.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.1 m -56.21 -35.83 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.424 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.33 -34.6 66.73 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.312 0.577 . . . . 0.0 110.195 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 48.0 t30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.435 -179.527 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.848 0.356 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.6 -34.8 76.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.264 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.564 HD23 HD11 ' A' ' 41' ' ' LEU . 31.4 tp -58.72 -39.54 81.12 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.107 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.24 -40.58 86.39 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 119.4 -0.92 . . . . 0.0 108.661 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.3 m -65.93 -37.66 86.63 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.967 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.36 -47.02 83.86 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.829 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.3 mtm -58.52 -40.55 83.21 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.032 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.593 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.8 mt-10 -66.7 -36.59 82.86 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.306 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.845 ' O ' HG23 ' B' ' 14' ' ' VAL . 44.9 m -61.49 -43.39 98.94 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.052 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.82 -46.18 90.62 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.467 0.651 . . . . 0.0 111.208 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.2 mt -65.68 -43.4 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.68 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.593 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 86.1 m-20 -59.52 -38.19 80.33 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.892 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.845 HG23 ' O ' ' B' ' 10' ' ' THR . 96.1 t -64.99 -43.84 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 90.1 t80 -60.04 -46.42 89.57 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.112 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -60.69 -40.14 91.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.101 0.476 . . . . 0.0 110.955 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -40.98 99.09 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.759 ' HB2' HD21 ' B' ' 36' ' ' LEU . 96.0 m-70 -103.36 -42.23 5.78 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 -177.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 85.2 p -61.14 -32.66 72.36 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.176 -178.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.79 -32.04 80.34 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.473 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.09 -36.71 73.24 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.523 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 78.0 mm-40 -127.63 147.75 50.37 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.749 0.785 . . . . 0.0 112.957 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.39 -141.61 43.85 Favored Glycine 0 CA--C 1.521 0.425 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.801 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -83.24 129.02 34.98 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.498 -0.851 . . . . 0.0 110.396 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -56.35 -38.6 71.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.596 0.712 . . . . 0.0 110.123 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.576 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.2 m-30 -74.25 -20.38 60.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.395 -1.275 . . . . 0.0 113.017 -176.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -113.98 144.84 42.42 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.524 ' O ' ' O ' ' B' ' 69' ' ' VAL . 4.8 tt -102.44 128.54 49.0 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.515 ' N ' HD23 ' B' ' 28' ' ' LEU . 84.2 p -102.09 159.8 15.06 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.956 0.408 . . . . 0.0 111.477 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -54.58 -38.93 67.29 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.528 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -60.3 -49.76 76.3 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.784 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.523 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 98.5 mt-10 -62.55 -38.06 88.58 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.254 -177.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.402 HD11 ' CE1' ' B' ' 74' ' ' TYR . 50.7 tp -62.98 -44.07 97.05 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.464 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.571 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 4.9 tptp -59.35 -41.48 89.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.642 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.433 ' O ' HG22 ' B' ' 39' ' ' THR . 78.3 mm-40 -71.33 -40.62 70.63 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.688 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.759 HD21 ' HB2' ' B' ' 18' ' ' HIS . 95.0 mt -64.41 -47.99 77.09 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 119.325 -0.95 . . . . 0.0 111.923 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.591 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 5.6 mp -70.67 -42.76 70.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.776 -0.77 . . . . 0.0 112.031 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.571 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.0 tt0 -62.6 -41.67 99.12 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.4 t -86.66 -45.63 10.82 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.62 -0.832 . . . . 0.0 112.54 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.603 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.9 mt-10 -73.77 -33.6 64.32 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.4 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.603 HD12 ' C ' ' B' ' 40' ' ' GLU . 7.2 mp -120.46 43.47 2.72 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.155 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -57.09 -24.66 55.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.716 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.36 -69.25 1.31 Allowed Glycine 0 CA--C 1.533 1.182 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.911 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.88 -43.16 85.87 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.595 HD13 HD23 ' B' ' 41' ' ' LEU . 8.9 mp -94.11 -0.26 55.43 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.584 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 53.1 p30 -20.9 120.74 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 122.422 1.106 . . . . 0.0 112.807 -177.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.616 ' O ' HG22 ' B' ' 51' ' ' VAL . . . -66.24 -18.15 65.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 113.953 -1.476 . . . . 0.0 112.22 -179.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.42 -34.89 62.22 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.109 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -112.45 141.15 46.53 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 56.32 50.93 12.33 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.182 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.616 HG22 ' O ' ' B' ' 47' ' ' ALA . 61.9 t -53.13 -37.47 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.758 -178.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.454 ' C ' ' OD1' ' B' ' 52' ' ' ASP . 49.4 p30 -78.91 9.5 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.802 0.334 . . . . 0.0 111.003 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.487 ' O ' HG13 ' B' ' 57' ' ' VAL . . . -59.92 -30.7 69.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.168 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.511 HG21 ' HD3' ' B' ' 34' ' ' LYS . 76.1 t -57.81 -47.64 85.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.27 -177.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -65.91 -43.59 87.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.714 0.769 . . . . 0.0 110.669 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.437 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 21.0 mtmm -59.08 -40.77 86.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.867 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.487 HG13 ' O ' ' B' ' 53' ' ' ALA . 15.7 m -76.52 -37.18 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 C-N-CA 119.243 -0.983 . . . . 0.0 111.275 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.579 ' C ' ' SD ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -59.5 -39.29 83.32 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 119.221 -0.992 . . . . 0.0 110.28 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' B' ' 58' ' ' MET . 68.6 mttm -58.28 -38.38 76.86 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 118.797 -1.161 . . . . 0.0 109.72 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.41 -37.19 86.21 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.207 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.617 HD21 HD22 ' B' ' 77' ' ' LEU . 59.0 mt -66.94 -35.62 80.39 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.455 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.627 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 48.6 t0 -70.77 82.46 0.63 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.348 -0.941 . . . . 0.0 111.003 -177.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.81 -38.2 88.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.086 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.498 ' ND2' ' OD2' ' B' ' 66' ' ' ASP . 33.3 p-10 -89.02 1.5 55.43 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.107 -0.637 . . . . 0.0 112.503 -178.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.46 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 74.27 27.15 66.54 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.232 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.627 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 55.2 p30 -105.03 155.21 19.18 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 122.25 1.024 . . . . 0.0 110.066 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.84 -28.26 63.0 Favored Glycine 0 C--N 1.298 -1.568 0 CA-C-N 113.842 -1.526 . . . . 0.0 112.239 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.534 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 42.3 tp10 -95.37 146.6 24.27 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.534 0.683 . . . . 0.0 111.9 -177.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.524 ' O ' ' O ' ' B' ' 28' ' ' LEU . 46.8 t -110.3 135.27 49.85 Favored 'Isoleucine or valine' 0 C--N 1.339 0.131 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.28 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 56.9 t0 -99.07 145.3 27.27 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.476 0.655 . . . . 0.0 111.417 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.559 ' CE2' ' CG2' ' B' ' 75' ' ' VAL . 89.9 t80 -52.02 -39.91 60.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.967 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -56.83 -40.63 76.4 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.857 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.477 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 99.6 mt-10 -65.98 -41.93 90.49 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.258 0.551 . . . . 0.0 110.478 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.58 ' CE2' ' CG2' ' B' ' 78' ' ' VAL . 82.6 t80 -64.86 -41.28 95.8 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 1.018 HG12 ' HB1' ' A' ' 79' ' ' ALA . 78.3 t -58.33 -40.86 79.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.549 -177.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.29 -43.54 96.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.535 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.617 HD22 HD21 ' B' ' 61' ' ' LEU . 29.4 tp -63.89 -39.88 95.23 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.716 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.594 ' O ' HG22 ' B' ' 82' ' ' THR . 53.1 t -58.72 -40.29 79.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.855 -179.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.988 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -60.39 -39.52 87.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.994 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.18 -43.88 66.57 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.744 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 81' ' ' LEU . 75.0 mt -64.93 -40.09 94.51 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.594 HG22 ' O ' ' B' ' 78' ' ' VAL . 1.6 t -62.17 -42.56 99.38 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.226 -0.99 . . . . 0.0 109.808 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.472 HG23 HG11 ' A' ' 75' ' ' VAL . 89.3 t -63.97 -41.47 92.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.922 178.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.29 75.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.135 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 73.2 m -56.29 -35.75 67.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.31 -34.62 66.68 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.338 0.59 . . . . 0.0 110.238 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 48.0 t30 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.493 -179.536 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.418 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 50.7 m . . . . . 0 N--CA 1.462 0.138 0 CA-C-O 120.774 0.321 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.48 -38.37 90.87 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.412 ' HB2' HG11 ' B' ' 14' ' ' VAL . 31.1 tp -62.27 -39.5 93.11 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.56 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.82 -40.75 89.49 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 119.693 -0.803 . . . . 0.0 108.903 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -65.03 -37.8 88.81 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.38 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.53 99.35 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.023 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.548 ' SD ' HD21 ' B' ' 41' ' ' LEU . 54.5 mtm -57.34 -40.44 78.01 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 118.348 -1.341 . . . . 0.0 108.542 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.59 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 98.0 mt-10 -67.3 -37.14 82.89 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.682 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.6 m -61.24 -42.82 99.28 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.231 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.47 -45.66 92.9 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.787 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.78 -41.42 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.637 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.59 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 86.6 m-20 -60.03 -39.29 85.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.641 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' THR . 72.3 t -66.99 -42.86 89.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.688 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 76.6 t80 -58.63 -49.14 78.58 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.231 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -62.67 -40.21 96.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.573 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.56 -43.97 97.5 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.636 ' HB2' HD21 ' A' ' 36' ' ' LEU . 34.7 m80 -101.05 -32.13 10.75 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -177.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.714 ' OG ' HD21 ' A' ' 28' ' ' LEU . 14.5 m -62.64 -38.94 92.26 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.559 -0.856 . . . . 0.0 111.942 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.79 -28.89 72.47 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 115.85 1.1 . . . . 0.0 115.85 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 18' ' ' HIS . 51.9 pttt -56.17 -42.78 77.58 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.609 1.205 . . . . 0.0 112.475 -176.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.577 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 97.9 mt-10 -137.15 149.83 47.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.4 0.619 . . . . 0.0 112.064 178.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.87 -157.99 53.64 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.623 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -79.23 133.84 36.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.926 -0.637 . . . . 0.0 109.52 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -56.65 -38.7 72.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.938 0.875 . . . . 0.0 109.606 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.525 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 59.6 m-85 -70.85 -24.12 62.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.976 -1.465 . . . . 0.0 113.537 -178.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -114.27 142.88 45.72 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.714 HD21 ' OG ' ' A' ' 19' ' ' SER . 95.7 mt -100.42 134.55 43.2 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.352 -1.295 . . . . 0.0 108.349 175.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -94.39 161.09 14.38 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -51.52 -39.98 58.73 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.004 -1.078 . . . . 0.0 108.925 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -62.24 -51.11 69.06 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.154 -0.618 . . . . 0.0 112.227 177.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.577 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.7 mt-10 -64.1 -40.44 96.21 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.582 0.706 . . . . 0.0 111.065 -175.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -64.81 -41.18 95.98 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.394 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HD3' HG21 ' A' ' 54' ' ' VAL . 15.8 tptm -60.56 -44.8 95.76 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 114.547 -1.206 . . . . 0.0 111.206 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.417 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -68.17 -37.33 80.88 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.774 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 18' ' ' HIS . 93.1 mt -65.85 -46.91 76.77 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 119.054 -1.059 . . . . 0.0 111.676 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.6 mt -69.37 -42.13 75.59 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.836 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.9 -41.66 97.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.492 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.2 t -83.53 -45.63 13.35 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.344 -0.542 . . . . 0.0 112.369 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.627 ' C ' HD12 ' A' ' 41' ' ' LEU . 76.3 mm-40 -71.48 -35.19 70.73 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.087 -178.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.63 HD23 HD13 ' A' ' 45' ' ' LEU . 7.7 mp -124.28 48.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -55.33 -33.05 63.0 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.351 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.05 -62.41 1.67 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.404 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -58.63 -44.88 90.14 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.695 ' O ' ' N ' ' A' ' 47' ' ' ALA . 7.5 mp -96.08 -1.78 48.0 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.531 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 53.9 p30 -18.88 75.74 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 122.013 0.911 . . . . 0.0 112.595 -177.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.695 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -67.85 -15.67 63.73 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 114.264 -1.335 . . . . 0.0 111.816 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -53.98 -35.91 62.34 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.044 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 92.3 mttt -59.59 -36.69 76.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.491 0.662 . . . . 0.0 109.595 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 88.5 m-20 -136.53 89.74 2.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.053 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.15 -43.66 93.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.305 0.574 . . . . 0.0 111.487 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -58.23 -32.8 68.66 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.637 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.1 -30.46 62.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.637 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.43 HG21 ' HD3' ' A' ' 34' ' ' LYS . 53.2 t -57.71 -43.65 84.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.388 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.62 -40.42 91.82 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.617 0.722 . . . . 0.0 109.588 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt -61.01 -39.29 89.15 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.854 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.16 -45.87 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.047 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.473 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 ppp? -64.55 -35.61 81.53 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.998 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 58' ' ' MET . 82.9 tttt -57.73 -41.06 81.06 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.773 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.2 -36.4 84.05 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.352 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.767 HD21 HD22 ' A' ' 77' ' ' LEU . 88.4 mt -66.41 -36.45 82.85 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.536 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.512 ' OD1' ' OD1' ' A' ' 64' ' ' ASN . 49.9 t0 -79.66 98.38 6.92 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.032 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -77.38 -34.86 54.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.729 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.512 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 44.3 p-10 -90.7 0.89 57.26 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.445 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 70.61 13.8 71.79 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.896 178.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.647 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.4 p30 -62.06 -33.47 74.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.647 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.51 -6.32 65.31 Favored Glycine 0 C--N 1.321 -0.26 0 N-CA-C 108.995 -1.642 . . . . 0.0 108.995 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 82.3 tt0 -111.68 141.87 44.74 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.7 t -105.14 132.8 51.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.494 0.664 . . . . 0.0 111.172 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.4 t0 -98.64 147.53 24.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.924 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.688 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 52.4 t80 -51.69 -37.71 51.85 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -59.01 -38.36 79.07 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.039 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 98.4 mt-10 -68.71 -42.29 77.89 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.46 0.647 . . . . 0.0 110.512 178.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -66.3 -43.0 87.51 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 71' ' ' PHE . 30.6 m -65.2 -36.7 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -177.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.94 -40.37 78.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 118.616 -1.233 . . . . 0.0 110.722 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.767 HD22 HD21 ' A' ' 61' ' ' LEU . 25.1 tp -67.73 -41.77 82.94 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.39 -0.524 . . . . 0.0 112.368 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.6 p -59.19 -35.37 57.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 C-N-CA 119.713 -0.795 . . . . 0.0 111.369 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.4 -38.12 82.99 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.084 0.469 . . . . 0.0 110.002 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.03 -41.36 74.36 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.864 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.593 HD13 HD21 ' A' ' 45' ' ' LEU . 70.1 mt -63.47 -39.24 93.95 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.2 t -59.35 -40.95 88.05 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.176 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.73 -40.28 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.29 75.07 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.7 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.0 m -54.46 -35.72 63.32 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.199 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -56.37 -34.8 67.0 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.363 0.601 . . . . 0.0 110.272 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.257 -179.471 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.41 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 50.8 m . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.782 0.325 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.32 -38.52 91.48 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.406 ' HB2' HG11 ' A' ' 14' ' ' VAL . 31.1 tp -62.23 -39.56 93.2 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 120.023 -0.671 . . . . 0.0 111.569 -178.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.74 -40.72 89.06 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.6 -0.84 . . . . 0.0 108.97 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.3 m -65.08 -37.64 88.18 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.467 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.57 99.41 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.047 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.551 ' SD ' HD21 ' A' ' 41' ' ' LEU . 54.2 mtm -57.26 -40.58 77.97 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 118.379 -1.329 . . . . 0.0 108.524 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.601 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.9 mt-10 -67.16 -37.23 83.4 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.739 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.679 ' O ' HG23 ' B' ' 14' ' ' VAL . 47.0 m -61.18 -42.85 99.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.228 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.46 -45.6 93.13 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.71 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.7 mt -65.91 -41.35 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.597 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 86.6 m-20 -60.05 -39.35 85.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.626 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.679 HG23 ' O ' ' B' ' 10' ' ' THR . 71.4 t -66.88 -43.02 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 76.6 t80 -58.69 -49.01 79.16 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.25 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -62.64 -40.25 96.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.567 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.01 97.42 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -176.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.643 ' HB2' HD21 ' B' ' 36' ' ' LEU . 34.9 m80 -101.05 -32.22 10.71 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -177.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.705 ' OG ' HD21 ' B' ' 28' ' ' LEU . 14.5 m -62.51 -38.96 91.97 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.99 -178.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.89 -28.86 72.57 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 115.748 1.059 . . . . 0.0 115.748 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' B' ' 18' ' ' HIS . 52.0 pttt -56.23 -42.68 77.66 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 118.622 1.211 . . . . 0.0 112.496 -176.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.571 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 97.9 mt-10 -137.26 149.83 47.4 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.412 0.625 . . . . 0.0 112.067 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.89 -158.02 53.65 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.637 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -79.17 133.83 36.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.87 -0.665 . . . . 0.0 109.523 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -56.69 -38.68 72.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.924 0.869 . . . . 0.0 109.642 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.51 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 59.3 m-85 -70.83 -24.13 62.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.891 -1.504 . . . . 0.0 113.513 -178.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -114.28 142.84 45.77 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.705 HD21 ' OG ' ' B' ' 19' ' ' SER . 95.8 mt -100.49 134.61 43.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.342 -1.299 . . . . 0.0 108.274 175.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.3 t -94.48 160.93 14.43 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -51.43 -39.93 58.36 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 118.905 -1.118 . . . . 0.0 108.973 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -62.16 -51.16 68.95 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.216 -0.593 . . . . 0.0 112.197 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.571 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.7 mt-10 -64.18 -40.42 96.06 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.635 0.731 . . . . 0.0 110.983 -175.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -64.81 -41.15 96.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.402 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.427 ' HD3' HG21 ' B' ' 54' ' ' VAL . 15.9 tptm -60.59 -44.73 95.93 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.291 177.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.412 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -68.22 -37.34 80.73 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.77 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.643 HD21 ' HB2' ' B' ' 18' ' ' HIS . 93.1 mt -65.86 -46.88 76.83 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.685 178.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.401 ' HB3' HD23 ' B' ' 45' ' ' LEU . 75.1 mt -69.38 -42.07 75.66 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.826 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.92 -41.63 97.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.533 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.2 t -83.52 -45.7 13.28 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.357 -0.537 . . . . 0.0 112.365 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.634 ' C ' HD12 ' B' ' 41' ' ' LEU . 76.3 mm-40 -71.41 -35.26 70.93 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.107 -178.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.634 HD12 ' C ' ' B' ' 40' ' ' GLU . 7.7 mp -124.3 48.33 1.95 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -55.21 -33.22 62.87 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.305 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.01 -62.4 1.67 Allowed Glycine 0 CA--C 1.531 1.063 0 C-N-CA 120.989 -0.625 . . . . 0.0 112.331 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -58.73 -44.77 90.54 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.692 ' O ' ' N ' ' B' ' 47' ' ' ALA . 7.5 mp -96.13 -1.76 47.87 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.537 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 54.1 p30 -18.85 75.78 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 122.057 0.932 . . . . 0.0 112.62 -177.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.692 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -67.85 -15.75 63.77 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.806 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -53.94 -35.83 62.16 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.115 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.424 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 92.2 mttt -59.69 -36.59 76.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.526 0.679 . . . . 0.0 109.597 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 88.4 m-20 -136.53 89.74 2.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.078 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.09 -43.87 93.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.255 0.55 . . . . 0.0 111.441 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -58.16 -32.64 68.39 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.7 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.31 -30.36 62.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.547 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.427 HG21 ' HD3' ' B' ' 34' ' ' LYS . 53.0 t -57.74 -43.61 84.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.438 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' B' ' 58' ' ' MET . 90.0 m-20 -60.64 -40.38 91.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.579 0.704 . . . . 0.0 109.621 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -61.0 -39.26 89.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.88 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.15 -45.86 89.16 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.021 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.478 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -64.48 -35.74 81.92 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.924 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' B' ' 58' ' ' MET . 82.9 tttt -57.6 -41.03 80.4 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.812 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.31 -36.39 83.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.261 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.758 HD21 HD22 ' B' ' 77' ' ' LEU . 88.5 mt -66.44 -36.45 82.82 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.523 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.517 ' OD1' ' OD1' ' B' ' 64' ' ' ASN . 49.9 t0 -79.66 98.37 6.92 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.977 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -77.33 -34.94 55.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.76 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.517 ' OD1' ' OD1' ' B' ' 62' ' ' ASP . 44.1 p-10 -90.73 1.03 57.22 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.439 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 70.54 13.96 71.75 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.792 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.652 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.6 p30 -62.17 -33.44 74.52 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.652 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.58 -6.47 65.23 Favored Glycine 0 CA--C 1.518 0.244 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.468 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 82.2 tt0 -111.65 141.86 44.71 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 45.7 t -105.11 132.83 50.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.479 0.657 . . . . 0.0 111.172 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.5 t0 -98.75 147.48 24.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.822 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 52.2 t80 -51.62 -37.72 51.39 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -58.92 -38.42 78.89 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.065 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 98.5 mt-10 -68.69 -42.29 77.98 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.488 0.661 . . . . 0.0 110.495 178.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -66.36 -43.11 86.91 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.577 HG13 ' O ' ' B' ' 71' ' ' PHE . 30.5 m -65.16 -36.73 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.98 -40.33 78.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 C-N-CA 118.665 -1.214 . . . . 0.0 110.75 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.758 HD22 HD21 ' B' ' 61' ' ' LEU . 25.1 tp -67.8 -41.74 82.66 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.468 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.6 p -59.23 -35.33 57.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.354 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.439 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.39 -38.15 83.07 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.566 -0.453 . . . . 0.0 109.984 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.98 -41.31 74.61 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.883 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.607 HD13 HD21 ' B' ' 45' ' ' LEU . 70.1 mt -63.6 -39.16 93.66 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.2 t -59.31 -40.9 87.71 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.236 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.8 -40.25 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.3 75.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.724 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 71.0 m -54.51 -35.59 63.3 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.224 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -56.4 -34.89 67.16 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.386 0.612 . . . . 0.0 110.264 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.3 -179.453 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.431 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 40.1 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.803 0.335 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.19 -35.46 78.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.843 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 4' ' ' LEU . 7.5 tt -59.34 -40.37 86.16 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.95 -40.93 90.69 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.117 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.7 m -65.78 -38.09 88.08 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.183 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.31 -51.59 62.71 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -39.14 88.94 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 118.709 -1.196 . . . . 0.0 110.031 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.492 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.8 mt-10 -65.43 -37.1 85.91 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.756 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 14' ' ' VAL . 51.2 m -61.56 -43.08 99.52 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.746 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.542 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 92.3 mt -61.9 -43.02 99.7 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.794 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.8 mt -63.61 -46.67 94.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.777 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 84.2 m-20 -61.93 -40.62 96.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.181 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 10' ' ' THR . 75.1 t -67.83 -46.12 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.146 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.569 ' CE2' ' CE2' ' A' ' 74' ' ' TYR . 2.0 m-85 -64.57 -48.12 76.2 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 121.537 0.684 . . . . 0.0 109.97 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -62.77 -40.23 96.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.96 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.04 92.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.211 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.511 ' HA ' ' HZ2' ' A' ' 21' ' ' LYS . 62.7 m170 -88.36 -28.37 21.02 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.756 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.1 t -59.06 -36.42 75.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.17 0.51 . . . . 0.0 111.271 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.44 -29.58 60.77 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 115.558 -0.747 . . . . 0.0 113.601 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.511 ' HZ2' ' HA ' ' A' ' 18' ' ' HIS . 31.7 mtmm -56.89 -39.87 75.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.904 0.852 . . . . 0.0 111.995 -177.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.544 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -139.16 141.11 38.02 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.416 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.39 -163.59 52.89 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 178.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.31 143.47 48.67 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.859 0.361 . . . . 0.0 110.198 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.57 -39.03 82.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 122.352 1.072 . . . . 0.0 109.33 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 68.3 m-85 -69.18 -27.59 65.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 113.204 -1.816 . . . . 0.0 113.232 -177.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -112.75 142.71 45.06 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.626 HD12 ' CD2' ' A' ' 74' ' ' TYR . 87.3 mt -99.56 138.79 36.16 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.53 -1.214 . . . . 0.0 108.768 175.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -100.45 163.65 12.27 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.584 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 86.0 tttt -52.76 -41.46 64.08 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.229 -177.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.1 -51.46 69.03 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.825 -0.75 . . . . 0.0 111.998 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.544 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.7 mt-10 -63.58 -39.32 94.08 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.774 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.0 -41.33 99.55 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.248 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HZ1' ' NE2' ' A' ' 38' ' ' GLN . 14.8 tptp -61.28 -46.74 89.08 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.236 176.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.505 ' O ' HG22 ' A' ' 39' ' ' THR . 77.8 mm-40 -66.59 -36.11 81.83 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.033 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' A' ' 18' ' ' HIS . 0.5 OUTLIER -68.23 -47.69 67.11 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 119.721 -0.791 . . . . 0.0 111.443 179.603 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.6 mt -68.5 -44.07 75.49 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 119.416 -0.913 . . . . 0.0 110.983 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.485 ' NE2' ' HZ1' ' A' ' 34' ' ' LYS . 51.8 tt0 -64.25 -42.17 96.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.471 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 35' ' ' GLU . 2.1 t -80.38 -43.0 21.81 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.196 -0.602 . . . . 0.0 112.297 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.78 ' C ' HD12 ' A' ' 41' ' ' LEU . 77.0 mm-40 -71.33 -35.72 71.32 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.593 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.78 HD12 ' C ' ' A' ' 40' ' ' GLU . 7.5 mp -126.31 58.39 1.37 Allowed 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.277 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -55.14 -32.12 61.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.552 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.94 -67.54 1.38 Allowed Glycine 0 CA--C 1.53 1.013 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.078 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -58.52 -44.4 89.5 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.653 ' O ' ' N ' ' A' ' 47' ' ' ALA . 59.5 mt -92.72 -1.79 56.55 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.541 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 55.8 p30 -20.74 78.59 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.848 0.832 . . . . 0.0 112.497 -178.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.653 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -63.35 -24.45 67.86 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 114.838 -1.073 . . . . 0.0 111.206 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.45 -34.33 64.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.31 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.492 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 74.9 mmtt -58.68 -36.76 74.71 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 90.8 m-20 -140.8 88.21 2.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.296 -1.32 . . . . 0.0 110.469 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.51 -39.31 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.948 0.404 . . . . 0.0 110.636 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.639 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.7 p30 -61.38 -30.8 70.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.663 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.639 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -59.11 -30.85 68.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.599 -178.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.414 HG21 ' HD3' ' A' ' 34' ' ' LYS . 54.8 t -57.87 -44.07 85.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.329 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.584 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 86.3 m-20 -60.99 -41.47 96.57 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.796 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -60.14 -39.07 85.04 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.698 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.23 -45.16 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.344 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.486 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.5 ppp? -65.78 -38.35 88.81 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.964 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 58' ' ' MET . 92.5 mttt -59.32 -38.14 79.53 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 119.564 -0.854 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.42 -38.16 90.05 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.354 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.751 HD21 HD22 ' A' ' 77' ' ' LEU . 81.5 mt -67.6 -36.59 81.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.664 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 99.3 m-20 -98.0 33.87 2.04 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.876 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -52.17 -30.52 27.3 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 121.585 0.707 . . . . 0.0 109.273 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.529 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 12.5 m120 -52.91 -34.39 54.83 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.752 -178.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.32 3.9 62.96 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.686 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.5 p30 -61.47 -35.88 78.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.829 -0.686 . . . . 0.0 112.083 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.686 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 93.59 -10.83 72.31 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.508 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 83.7 tt0 -119.48 149.51 41.77 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.0 t -97.02 128.63 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.678 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -88.06 130.78 34.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.276 -1.329 . . . . 0.0 110.425 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.434 ' CE2' HG11 ' A' ' 75' ' ' VAL . 77.7 t80 -50.59 -42.52 55.89 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.818 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.583 ' O ' HG23 ' A' ' 76' ' ' VAL . 63.3 tt0 -58.73 -42.23 88.27 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.667 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.529 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.4 mt-10 -67.4 -39.77 85.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.07 0.462 . . . . 0.0 111.593 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.626 ' CD2' HD12 ' A' ' 28' ' ' LEU . 23.1 t80 -64.55 -44.19 91.56 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -179.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.434 HG11 ' CE2' ' A' ' 71' ' ' PHE . 33.5 m -67.39 -34.71 70.51 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.554 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 72' ' ' GLN . 79.8 t -61.51 -44.52 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.195 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.751 HD22 HD21 ' A' ' 61' ' ' LEU . 28.7 tp -64.82 -39.19 93.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.977 178.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.416 ' O ' HG22 ' A' ' 82' ' ' THR . 52.6 t -58.56 -39.53 75.88 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.76 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.407 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -57.14 -39.25 74.83 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.501 -178.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.77 75.69 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.369 -0.533 . . . . 0.0 111.318 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.68 -38.86 92.72 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.556 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 0.6 OUTLIER -60.39 -40.38 90.72 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.329 -0.948 . . . . 0.0 109.786 -179.611 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.95 -42.09 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.66 -31.83 73.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.785 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -55.55 -40.55 72.04 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.142 -179.313 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.545 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 19.2 t-20 -58.64 -38.24 77.68 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.408 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 . . . . . 0 CA--C 1.519 -0.222 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.935 -179.087 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.439 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 40.5 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.722 0.296 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.12 -35.58 79.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.843 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.719 HD23 ' O ' ' B' ' 4' ' ' LEU . 7.5 tt -59.2 -40.51 85.99 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.02 -40.96 91.1 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.021 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.42 ' O ' ' OG1' ' B' ' 10' ' ' THR . 47.5 m -65.69 -38.09 88.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.203 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.32 -51.63 62.5 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.514 -0.766 . . . . 0.0 113.01 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -39.26 89.03 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.139 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.493 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.8 mt-10 -65.29 -37.17 86.33 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.746 178.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' B' ' 6' ' ' THR . 51.9 m -61.59 -43.1 99.48 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.68 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.538 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 92.7 mt -61.88 -43.03 99.68 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.792 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.62 -46.64 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.725 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 84.2 m-20 -62.01 -40.58 96.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.164 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.414 HG23 ' O ' ' B' ' 10' ' ' THR . 75.8 t -67.82 -46.15 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.191 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.561 ' CE2' ' CE2' ' B' ' 74' ' ' TYR . 2.0 m-85 -64.43 -48.22 76.13 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.591 0.71 . . . . 0.0 109.97 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -62.77 -40.24 96.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.95 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.1 92.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.204 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.536 ' HA ' ' HZ2' ' B' ' 21' ' ' LYS . 62.6 m170 -88.38 -28.41 20.97 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.732 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -59.06 -36.32 74.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.15 0.5 . . . . 0.0 111.374 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.49 -29.63 60.97 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-N 115.526 -0.761 . . . . 0.0 113.581 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.536 ' HZ2' ' HA ' ' B' ' 18' ' ' HIS . 31.7 mtmm -56.89 -39.78 75.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.958 0.879 . . . . 0.0 111.954 -177.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.9 mm-40 -139.18 141.03 37.98 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.29 -0.564 . . . . 0.0 111.374 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.49 -163.53 53.07 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.49 -0.862 . . . . 0.0 110.98 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -72.41 143.47 48.51 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.81 0.338 . . . . 0.0 110.19 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.59 -38.92 82.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 122.288 1.042 . . . . 0.0 109.356 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.504 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 68.8 m-85 -69.27 -27.55 65.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.181 -1.827 . . . . 0.0 113.222 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -112.79 142.69 45.13 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.63 HD12 ' CD2' ' B' ' 74' ' ' TYR . 87.4 mt -99.51 138.83 36.05 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 114.516 -1.22 . . . . 0.0 108.763 175.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -100.5 163.62 12.28 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.599 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 85.9 tttt -52.79 -41.44 64.13 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.27 -177.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.01 -51.51 68.91 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.764 -0.775 . . . . 0.0 111.99 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.552 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.7 mt-10 -63.59 -39.24 93.87 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.81 -176.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.08 -41.31 99.4 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.244 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.471 ' HZ1' HE22 ' B' ' 38' ' ' GLN . 14.8 tptp -61.26 -46.77 89.0 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.228 176.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.493 ' O ' HG22 ' B' ' 39' ' ' THR . 77.8 mm-40 -66.54 -36.15 81.97 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.082 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.469 HD21 ' CB ' ' B' ' 18' ' ' HIS . 0.5 OUTLIER -68.16 -47.83 66.97 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 119.738 -0.785 . . . . 0.0 111.392 179.615 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 37' ' ' LEU . 70.9 mt -68.38 -44.07 75.95 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.015 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.471 HE22 ' HZ1' ' B' ' 34' ' ' LYS . 51.8 tt0 -64.34 -42.17 96.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.45 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.493 HG22 ' O ' ' B' ' 35' ' ' GLU . 2.0 t -80.28 -43.04 21.98 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.218 -0.593 . . . . 0.0 112.39 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.773 ' C ' HD12 ' B' ' 41' ' ' LEU . 76.9 mm-40 -71.32 -35.71 71.33 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 119.985 -0.686 . . . . 0.0 111.659 -178.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.773 HD12 ' C ' ' B' ' 40' ' ' GLU . 7.5 mp -126.25 58.36 1.37 Allowed 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.291 178.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -55.15 -32.06 61.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.0 -67.58 1.37 Allowed Glycine 0 CA--C 1.53 0.989 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.041 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -58.49 -44.49 89.43 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.667 ' O ' ' N ' ' B' ' 47' ' ' ALA . 59.7 mt -92.63 -1.88 56.54 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.55 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 55.5 p30 -20.75 78.68 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.762 0.791 . . . . 0.0 112.454 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -63.4 -24.34 67.8 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.232 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -55.46 -34.35 64.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.321 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.506 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 75.0 mmtt -58.69 -36.9 74.96 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 91.0 m-20 -140.67 88.23 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.296 -1.32 . . . . 0.0 110.445 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.49 -39.34 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.954 0.407 . . . . 0.0 110.606 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.7 p30 -61.4 -30.81 70.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.659 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.651 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -59.03 -30.93 68.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.541 -178.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.432 HG21 ' HD3' ' B' ' 34' ' ' LYS . 54.4 t -57.84 -44.09 85.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.3 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.599 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 86.5 m-20 -60.97 -41.51 96.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.486 0.66 . . . . 0.0 109.783 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -60.22 -38.97 85.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.978 -0.689 . . . . 0.0 109.729 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.28 -45.07 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.316 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.482 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.5 ppp? -65.84 -38.36 88.68 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.111 -0.636 . . . . 0.0 111.933 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -59.26 -38.22 79.55 Favored 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 119.473 -0.891 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.35 -38.22 90.27 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.35 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.762 HD21 HD22 ' B' ' 77' ' ' LEU . 81.5 mt -67.48 -36.68 81.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.689 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.507 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 99.3 m-20 -98.01 33.93 2.03 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.924 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -52.17 -30.44 26.93 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 121.544 0.688 . . . . 0.0 109.321 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.533 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 12.6 m120 -53.04 -34.26 55.64 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.71 -177.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.28 3.88 63.04 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 108.725 -1.75 . . . . 0.0 108.725 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.691 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.6 p30 -61.54 -35.8 78.77 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.848 -0.676 . . . . 0.0 112.064 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.691 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 93.57 -10.87 72.3 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.507 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 83.8 tt0 -119.44 149.53 41.71 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 56.3 t -97.07 128.65 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 119.734 -0.787 . . . . 0.0 110.657 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -87.98 130.75 34.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.143 -1.389 . . . . 0.0 110.448 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.44 ' CE2' HG11 ' B' ' 75' ' ' VAL . 77.6 t80 -50.51 -42.58 55.09 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.875 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.586 ' O ' HG23 ' B' ' 76' ' ' VAL . 63.3 tt0 -58.76 -42.19 88.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.671 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.533 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.4 mt-10 -67.4 -39.74 85.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.125 0.488 . . . . 0.0 111.561 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.63 ' CD2' HD12 ' B' ' 28' ' ' LEU . 23.0 t80 -64.62 -44.17 91.41 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.938 -178.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.44 HG11 ' CE2' ' B' ' 71' ' ' PHE . 33.4 m -67.49 -34.64 69.75 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.485 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 72' ' ' GLN . 79.4 t -61.6 -44.46 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.208 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.762 HD22 HD21 ' B' ' 61' ' ' LEU . 28.7 tp -64.87 -39.13 93.07 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.009 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.406 ' O ' HG22 ' B' ' 82' ' ' THR . 53.0 t -58.51 -39.48 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.825 -179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.405 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -57.19 -39.23 74.96 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.548 -178.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.43 -41.8 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.24 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.81 -38.74 92.22 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.567 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 0.6 OUTLIER -60.46 -40.41 91.08 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 119.374 -0.93 . . . . 0.0 109.75 -179.629 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.6 t -61.94 -42.09 93.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.67 -31.78 73.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.836 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -55.56 -40.5 72.03 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.134 -179.377 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.543 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 19.1 t-20 -58.68 -38.3 77.92 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.34 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 . . . . . 0 CA--C 1.52 -0.186 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.864 -178.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 120.818 0.342 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.424 ' HB2' HG11 ' B' ' 14' ' ' VAL . 92.2 mt-10 -61.56 -35.24 77.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.489 HD22 ' OE1' ' B' ' 40' ' ' GLU . 30.6 tp -58.0 -40.88 81.83 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.866 -178.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.58 -40.99 93.74 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.219 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.8 m -65.84 -38.71 89.62 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.347 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.3 89.27 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.833 -177.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.51 ' SD ' HD21 ' B' ' 41' ' ' LEU . 57.4 mtm -58.25 -40.81 82.76 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 118.466 -1.293 . . . . 0.0 109.077 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 97.8 mt-10 -67.36 -36.66 81.84 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.458 178.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.616 ' O ' HG13 ' A' ' 14' ' ' VAL . 44.7 m -61.7 -43.4 98.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.526 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.6 -47.65 82.88 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.466 0.651 . . . . 0.0 111.533 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.553 HD13 HD21 ' B' ' 86' ' ' ASN . 78.0 mt -66.1 -42.27 91.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.609 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 88.5 m-20 -61.23 -39.12 89.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.259 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 10' ' ' THR . 18.6 m -78.48 -48.57 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 119.459 -0.896 . . . . 0.0 112.125 -179.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.499 ' N ' HG23 ' A' ' 14' ' ' VAL . 65.6 m-85 -66.71 -41.1 88.51 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 119.223 -0.991 . . . . 0.0 111.444 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 85.0 t60 -60.96 -43.85 98.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.149 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.94 -51.37 56.02 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.57 -0.452 . . . . 0.0 112.176 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.756 ' CB ' HD21 ' A' ' 36' ' ' LEU . 88.7 m-70 -61.4 -42.74 99.2 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -58.68 -35.41 72.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.261 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.05 -29.1 59.08 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.928 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -56.63 -40.64 75.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.478 0.639 . . . . 0.0 111.655 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.525 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -143.89 139.54 29.27 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.705 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.21 -166.15 54.75 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -72.6 143.9 48.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.819 0.342 . . . . 0.0 110.259 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -59.79 -39.08 83.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 122.418 1.104 . . . . 0.0 109.197 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 69.1 m-85 -69.76 -24.77 63.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 113.056 -1.884 . . . . 0.0 112.853 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.507 ' CB ' ' OE2' ' A' ' 68' ' ' GLU . 17.2 mmtm -112.42 143.06 44.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.429 0.633 . . . . 0.0 112.677 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.6 mt -98.67 133.23 43.3 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.55 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -89.18 155.82 19.18 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.557 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 64.4 tttt -53.6 -39.87 65.24 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 118.779 -1.168 . . . . 0.0 108.439 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.67 -51.98 65.09 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.525 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.4 mt-10 -63.14 -40.14 96.72 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.674 -176.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.51 -44.58 96.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.524 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.703 ' HZ1' HE22 ' A' ' 38' ' ' GLN . 17.5 tptp -60.54 -44.84 95.67 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.393 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.416 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -69.25 -38.58 78.53 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.591 -1.186 . . . . 0.0 112.092 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.756 HD21 ' CB ' ' A' ' 18' ' ' HIS . 44.6 mt -68.13 -47.8 67.13 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.034 -0.667 . . . . 0.0 112.26 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.1 mt -69.54 -42.05 75.13 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.499 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.703 HE22 ' HZ1' ' A' ' 34' ' ' LYS . 51.7 tt0 -64.83 -41.88 95.38 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.984 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.9 t -83.3 -47.07 11.89 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.73 -0.788 . . . . 0.0 112.32 -178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.654 ' C ' HD12 ' A' ' 41' ' ' LEU . 95.3 mt-10 -72.92 -33.91 66.27 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.18 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.654 HD12 ' C ' ' A' ' 40' ' ' GLU . 9.0 mp -122.72 51.52 1.4 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.454 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -58.07 -25.43 61.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.28 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.55 -69.35 1.3 Allowed Glycine 0 CA--C 1.529 0.953 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.666 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -58.64 -43.61 89.81 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.714 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -91.35 -3.43 56.78 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.531 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 55.1 p30 -20.42 72.12 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -177.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.714 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -66.56 -22.27 66.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.075 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -55.25 -35.71 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.862 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.491 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 12.1 mtpp -59.22 -35.25 73.31 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.053 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.0 m-20 -138.67 99.95 3.95 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.428 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.33 -40.8 87.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.926 0.393 . . . . 0.0 110.748 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.8 p30 -62.4 -30.91 71.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.191 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.653 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -60.17 -27.35 67.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.947 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.3 t -56.76 -43.56 79.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.987 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.557 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 90.1 m-20 -59.29 -41.04 88.04 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 119.55 -0.86 . . . . 0.0 108.86 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.54 -38.31 89.53 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.719 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 53' ' ' ALA . 77.5 t -63.52 -47.41 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.184 -178.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.679 ' SD ' ' ND2' ' A' ' 64' ' ' ASN . 2.6 ppp? -67.03 -39.26 86.95 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 119.408 -0.917 . . . . 0.0 110.445 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 62' ' ' ASP . 44.1 tttm -59.69 -43.05 94.19 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.914 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.11 -36.95 84.52 Favored 'General case' 0 C--N 1.334 -0.078 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.958 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 74' ' ' TYR . 73.0 mt -65.86 -56.12 13.48 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.404 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.68 ' CG ' HG13 ' A' ' 69' ' ' VAL . 21.0 m-20 -116.25 145.96 42.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.316 177.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.441 ' HG3' ' H ' ' A' ' 65' ' ' GLY . 20.7 pt-20 -68.53 -29.27 67.81 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.679 ' ND2' ' SD ' ' A' ' 58' ' ' MET . 86.7 m-20 56.27 41.92 28.58 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 112.848 -1.978 . . . . 0.0 115.589 177.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' H ' ' HG3' ' A' ' 63' ' ' GLU . . . -56.54 -32.89 61.63 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 104.631 -3.388 . . . . 0.0 104.631 174.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.741 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 44.9 p30 -64.28 -35.88 82.3 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 112.469 -1.865 . . . . 0.0 112.081 178.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.741 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 92.46 -10.35 74.32 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 -178.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.507 ' OE2' ' CB ' ' A' ' 27' ' ' LYS . 83.9 tt0 -115.7 148.36 39.83 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.68 HG13 ' CG ' ' A' ' 62' ' ' ASP . 42.5 t -97.42 128.38 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 118.863 -1.135 . . . . 0.0 110.845 -178.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.468 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 60.8 t0 -91.73 129.58 37.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.27 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.558 ' CE2' HG11 ' A' ' 75' ' ' VAL . 79.2 t80 -52.52 -41.74 63.74 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.695 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.481 ' O ' HG22 ' A' ' 75' ' ' VAL . 63.2 tt0 -57.38 -41.97 81.25 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.513 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.47 ' OE1' ' OD2' ' A' ' 62' ' ' ASP . 98.7 mt-10 -68.2 -38.7 82.23 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.135 0.493 . . . . 0.0 110.911 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.466 ' CD1' HD22 ' A' ' 61' ' ' LEU . 64.5 t80 -62.86 -42.17 99.65 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.558 HG11 ' CE2' ' A' ' 71' ' ' PHE . 33.0 m -65.83 -32.21 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.015 -178.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.76 -50.22 78.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 118.996 -1.082 . . . . 0.0 111.539 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 77' ' ' LEU . 35.8 tp -73.91 -38.89 64.2 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 p -56.28 -33.01 36.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 119.611 -0.835 . . . . 0.0 110.269 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.443 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -58.09 -38.02 75.62 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.28 -38.06 78.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.127 0.489 . . . . 0.0 109.922 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.91 -39.76 95.52 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.59 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -61.06 -40.77 94.93 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 119.165 -1.014 . . . . 0.0 109.468 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.11 -41.2 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.65 74.29 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.896 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 78.2 m -53.75 -38.22 64.18 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.206 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.541 HD21 HD13 ' B' ' 12' ' ' ILE . 86.3 m-20 -58.83 -36.42 74.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.205 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 . . . . . 0 CA--C 1.517 -0.309 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.446 -179.351 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.813 0.34 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.429 ' HB2' HG11 ' A' ' 14' ' ' VAL . 92.4 mt-10 -61.64 -35.2 77.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.493 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.482 HD22 ' OE1' ' A' ' 40' ' ' GLU . 30.4 tp -58.02 -40.83 81.83 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.857 -178.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.57 -41.03 93.78 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.209 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.9 m -65.76 -38.78 90.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.388 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.33 89.22 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.759 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.51 ' SD ' HD21 ' A' ' 41' ' ' LEU . 57.4 mtm -58.33 -40.84 83.18 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 118.446 -1.302 . . . . 0.0 109.016 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 97.8 mt-10 -67.29 -36.6 81.87 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.469 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.593 ' O ' HG13 ' B' ' 14' ' ' VAL . 45.3 m -61.83 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.512 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.49 -47.76 82.54 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.519 0.676 . . . . 0.0 111.516 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.541 HD13 HD21 ' A' ' 86' ' ' ASN . 78.2 mt -66.09 -42.22 90.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.627 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 88.0 m-20 -61.27 -39.11 89.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.324 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.593 HG13 ' O ' ' B' ' 10' ' ' THR . 18.6 m -78.42 -48.59 22.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.102 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.51 ' N ' HG23 ' B' ' 14' ' ' VAL . 65.6 m-85 -66.72 -41.2 88.32 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 119.255 -0.978 . . . . 0.0 111.407 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.444 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 85.1 t60 -60.84 -43.97 97.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.124 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.91 -51.31 56.83 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.753 ' CB ' HD21 ' B' ' 36' ' ' LEU . 88.6 m-70 -61.39 -42.87 99.41 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -58.58 -35.37 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.076 0.465 . . . . 0.0 111.334 -178.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.1 -29.16 59.29 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.861 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -56.63 -40.64 75.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.488 0.644 . . . . 0.0 111.625 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.51 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -143.81 139.57 29.4 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.671 178.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.32 -166.25 54.71 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.556 -1.018 . . . . 0.0 110.556 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.64 143.89 47.99 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 120.843 0.354 . . . . 0.0 110.313 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -59.78 -39.07 83.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 122.393 1.092 . . . . 0.0 109.225 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.509 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 68.1 m-85 -69.65 -24.9 63.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 113.025 -1.898 . . . . 0.0 112.897 -177.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.505 ' CB ' ' OE2' ' B' ' 68' ' ' GLU . 17.2 mmtm -112.37 142.96 44.25 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.5 mt -98.65 133.3 43.17 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.544 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.8 t -89.22 155.82 19.16 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.572 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 64.5 tttt -53.6 -39.93 65.28 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 118.757 -1.177 . . . . 0.0 108.374 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.62 -51.93 65.36 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.51 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.6 mt-10 -63.23 -40.15 96.64 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.622 -176.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.4 -44.73 95.74 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.537 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.821 ' HZ1' ' NE2' ' B' ' 38' ' ' GLN . 17.6 tptp -60.45 -44.78 95.48 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.498 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.415 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -69.21 -38.6 78.66 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 114.606 -1.179 . . . . 0.0 112.124 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.753 HD21 ' CB ' ' B' ' 18' ' ' HIS . 44.8 mt -68.21 -47.76 67.02 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.227 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 64.0 mt -69.59 -41.98 75.04 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.552 -0.859 . . . . 0.0 110.519 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.821 ' NE2' ' HZ1' ' B' ' 34' ' ' LYS . 51.7 tt0 -64.82 -41.95 95.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.959 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.489 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.9 t -83.29 -46.92 12.07 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.654 -0.818 . . . . 0.0 112.349 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.646 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.3 mt-10 -73.01 -33.88 66.03 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.175 -178.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.646 HD12 ' C ' ' B' ' 40' ' ' GLU . 9.0 mp -122.68 51.42 1.41 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.479 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -57.97 -25.41 60.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.297 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.61 -69.34 1.3 Allowed Glycine 0 CA--C 1.53 1.016 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.655 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -58.61 -43.64 89.69 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.719 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.5 OUTLIER -91.34 -3.4 56.82 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.532 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 55.1 p30 -20.45 72.15 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -177.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.719 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -66.61 -22.28 66.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.077 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -55.3 -35.72 65.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.795 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.488 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 12.1 mtpp -59.2 -35.25 73.25 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.068 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 90.8 m-20 -138.69 99.92 3.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.483 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 78.4 t -61.36 -40.79 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 110.753 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.8 p30 -62.26 -31.04 71.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.257 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.645 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -60.16 -27.32 67.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.978 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -56.61 -43.56 79.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.03 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.572 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 90.1 m-20 -59.3 -41.04 88.04 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 119.521 -0.872 . . . . 0.0 108.895 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.55 -38.33 89.64 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.589 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 53' ' ' ALA . 77.9 t -63.57 -47.38 91.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.11 -178.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.685 ' SD ' ' ND2' ' B' ' 64' ' ' ASN . 2.6 ppp? -67.11 -39.26 86.64 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 119.364 -0.935 . . . . 0.0 110.439 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' B' ' 62' ' ' ASP . 44.1 tttm -59.59 -43.03 93.83 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.978 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.14 -37.03 84.7 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.991 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' B' ' 74' ' ' TYR . 72.7 mt -65.79 -56.06 13.95 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.507 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.672 ' CG ' HG13 ' B' ' 69' ' ' VAL . 20.9 m-20 -116.26 145.89 42.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.273 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.44 ' HG3' ' H ' ' B' ' 65' ' ' GLY . 20.6 pt-20 -68.44 -29.29 67.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 105.58 -2.008 . . . . 0.0 105.58 174.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.685 ' ND2' ' SD ' ' B' ' 58' ' ' MET . 86.6 m-20 56.19 41.92 28.76 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 112.854 -1.975 . . . . 0.0 115.607 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.44 ' H ' ' HG3' ' B' ' 63' ' ' GLU . . . -56.54 -32.83 61.56 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 104.68 -3.368 . . . . 0.0 104.68 174.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.744 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 44.9 p30 -64.36 -35.78 82.0 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 112.467 -1.867 . . . . 0.0 112.091 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.744 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 92.34 -10.28 74.55 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.505 ' OE2' ' CB ' ' B' ' 27' ' ' LYS . 84.0 tt0 -115.61 148.39 39.68 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.672 HG13 ' CG ' ' B' ' 62' ' ' ASP . 42.6 t -97.48 128.38 48.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 118.849 -1.141 . . . . 0.0 110.834 -178.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.448 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 60.8 t0 -91.68 129.63 37.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.065 -1.425 . . . . 0.0 111.226 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.555 ' CE2' HG11 ' B' ' 75' ' ' VAL . 79.3 t80 -52.53 -41.74 63.76 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.668 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.47 ' O ' HG22 ' B' ' 75' ' ' VAL . 63.2 tt0 -57.51 -41.83 81.59 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.495 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.462 ' OE1' ' OD2' ' B' ' 62' ' ' ASP . 98.7 mt-10 -68.21 -38.79 82.3 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.18 0.514 . . . . 0.0 110.921 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.468 ' CD1' HD22 ' B' ' 61' ' ' LEU . 64.8 t80 -62.74 -42.29 99.59 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.555 HG11 ' CE2' ' B' ' 71' ' ' PHE . 32.9 m -65.7 -32.34 57.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.028 -0.669 . . . . 0.0 112.063 -178.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.65 -50.22 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 119.0 -1.08 . . . . 0.0 111.588 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.7 tp -73.87 -38.95 64.28 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 p -56.28 -33.07 36.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.233 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.448 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -58.0 -38.01 75.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.32 -38.01 78.02 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.422 -0.511 . . . . 0.0 109.95 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.95 -39.67 95.33 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.658 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 0.6 OUTLIER -61.14 -40.66 94.66 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.492 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.19 -41.17 90.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.13 -32.67 74.33 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.83 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 78.2 m -53.71 -38.26 64.11 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.217 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.553 HD21 HD13 ' A' ' 12' ' ' ILE . 86.5 m-20 -58.92 -36.22 74.38 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.26 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 . . . . . 0 CA--C 1.517 -0.31 0 C-N-CA 119.959 -0.696 . . . . 0.0 109.431 -179.421 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.812 0.339 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.37 -35.22 78.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.448 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 36.3 tp -59.2 -39.82 83.8 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.438 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.72 -40.92 89.62 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 119.35 -0.94 . . . . 0.0 108.772 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 m -66.14 -38.0 87.05 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.206 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.37 80.97 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.922 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.9 mtm -58.12 -42.48 85.86 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 119.132 -1.027 . . . . 0.0 108.942 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.09 -38.44 88.25 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 113.528 -1.669 . . . . 0.0 109.938 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.7 ' O ' HG23 ' A' ' 14' ' ' VAL . 45.2 m -61.74 -43.09 99.52 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.05 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.41 -43.64 96.51 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.375 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.33 -42.77 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.501 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -59.83 -39.03 83.74 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.286 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 10' ' ' THR . 81.1 t -65.33 -43.52 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.677 ' CE1' HD23 ' A' ' 28' ' ' LEU . 73.6 t80 -60.04 -52.89 63.44 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.964 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.64 -40.91 98.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.771 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.24 98.95 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.731 ' HB2' HD21 ' A' ' 36' ' ' LEU . 95.0 m-70 -98.84 -49.89 4.4 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.497 ' OG ' ' CD2' ' A' ' 28' ' ' LEU . 17.1 m -59.52 -37.3 77.99 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.77 -177.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.04 -36.42 92.27 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.467 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -59.58 -36.52 76.4 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -177.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.54 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.3 mt-10 -120.82 149.81 42.0 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.718 0.771 . . . . 0.0 112.906 -177.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.82 -148.45 49.81 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 114.607 -1.179 . . . . 0.0 112.363 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -82.92 129.66 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.44 -0.88 . . . . 0.0 109.895 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.517 ' C ' ' H ' ' A' ' 27' ' ' LYS . 90.9 mttt -69.17 165.17 20.99 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 60.06 0.46 0.28 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.609 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.586 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 33.0 tptt -126.94 135.63 51.16 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.677 HD23 ' CE1' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -101.94 128.13 48.49 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.779 -177.063 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -104.0 160.03 15.17 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -55.31 -40.2 70.83 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.428 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -59.39 -48.73 80.51 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.428 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.54 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 98.5 mt-10 -62.45 -38.44 89.79 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.747 -177.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.27 -42.94 99.18 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.207 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.599 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -61.84 -47.05 86.8 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.86 178.178 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -69.19 -38.3 78.57 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 120.298 -0.561 . . . . 0.0 112.061 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.731 HD21 ' HB2' ' A' ' 18' ' ' HIS . 71.7 mt -64.42 -49.72 70.42 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 119.631 -0.828 . . . . 0.0 112.088 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.523 HD21 ' OH ' ' A' ' 74' ' ' TYR . 66.7 mt -69.77 -42.91 73.21 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.517 -0.873 . . . . 0.0 111.235 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.599 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.8 tt0 -63.88 -42.66 97.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.316 -0.856 . . . . 0.0 113.082 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.5 t -82.79 -46.27 13.3 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.853 -0.739 . . . . 0.0 112.419 -178.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.504 ' OE2' ' CG1' ' A' ' 14' ' ' VAL . 95.7 mt-10 -72.94 -35.52 67.01 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.658 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.2 mt -123.72 53.85 1.34 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.792 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -55.26 -32.36 62.28 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.593 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.53 -67.42 1.53 Allowed Glycine 0 CA--C 1.532 1.144 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.496 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -58.24 -43.51 87.84 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.685 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -90.43 -3.78 57.45 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.533 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 53.8 p30 -20.9 77.24 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.78 0.8 . . . . 0.0 112.564 -177.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.685 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -63.87 -24.76 67.87 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.28 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.52 -34.76 64.95 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.397 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.508 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 72.1 mmtt -59.01 -37.66 77.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.3 m-20 -142.32 89.13 2.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.255 -1.339 . . . . 0.0 110.502 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.45 -39.17 81.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.97 0.414 . . . . 0.0 110.547 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.4 p30 -61.8 -29.56 70.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.558 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.645 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -58.09 -30.52 66.31 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.442 HG21 ' HD3' ' A' ' 34' ' ' LYS . 58.7 t -57.08 -45.63 84.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.536 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -63.31 -39.31 94.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.431 0.634 . . . . 0.0 110.315 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -60.21 -42.02 94.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.483 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 m -76.48 -37.17 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 C-N-CA 119.426 -0.91 . . . . 0.0 111.577 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.492 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -62.71 -34.94 78.19 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.512 179.046 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -58.21 -41.12 83.35 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 120.161 -0.615 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.95 -37.09 86.49 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.473 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.732 HD21 HD22 ' A' ' 77' ' ' LEU . 81.9 mt -66.43 -36.13 82.04 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.491 0.663 . . . . 0.0 110.501 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -88.94 36.2 0.81 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.737 -1.119 . . . . 0.0 113.383 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -50.33 -30.47 12.15 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.468 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.532 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 14.0 m120 -52.39 -30.74 30.62 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.131 -178.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.24 4.31 56.42 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 108.517 -1.833 . . . . 0.0 108.517 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.462 ' C ' ' OD1' ' A' ' 66' ' ' ASP . 50.8 p30 -83.52 171.91 12.91 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-O 121.83 0.824 . . . . 0.0 109.611 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -99.69 -7.41 53.55 Favored Glycine 0 C--N 1.3 -1.425 0 CA-C-N 114.284 -1.326 . . . . 0.0 111.159 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.419 ' OE2' ' CG ' ' A' ' 27' ' ' LYS . 77.4 tt0 -116.22 150.64 37.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.8 0.333 . . . . 0.0 110.324 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.529 ' O ' ' O ' ' A' ' 28' ' ' LEU . 58.8 t -106.71 133.28 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.586 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 87.3 m-20 -85.43 145.75 27.3 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.341 178.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.609 ' CZ ' ' CG1' ' A' ' 75' ' ' VAL . 71.0 t80 -55.1 -39.27 69.14 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.357 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -55.41 -41.0 72.13 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 119.671 -0.811 . . . . 0.0 109.021 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.532 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 97.5 mt-10 -68.04 -38.81 82.95 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.996 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.523 ' OH ' HD21 ' A' ' 37' ' ' LEU . 86.3 t80 -62.76 -44.29 96.58 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.609 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 34.5 m -68.24 -36.07 73.71 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.7 t -63.82 -45.98 95.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 119.213 -0.995 . . . . 0.0 110.469 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.732 HD22 HD21 ' A' ' 61' ' ' LEU . 28.3 tp -68.51 -41.57 79.79 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.4 p -59.15 -33.57 50.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 C-N-CA 119.899 -0.72 . . . . 0.0 111.453 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.426 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -58.91 -37.57 76.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.59 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.3 -42.81 74.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.3 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 81' ' ' LEU . 7.0 mp -65.31 -38.38 90.01 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.1 t -57.84 -40.73 80.77 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.556 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.43 -42.14 92.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.04 0.448 . . . . 0.0 109.995 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.66 76.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.966 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.7 m -57.1 -37.03 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -56.83 -38.72 73.02 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.634 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.522 -179.8 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.743 0.306 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.26 -35.3 78.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.444 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 35.9 tp -59.11 -39.78 83.35 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.507 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.86 -40.92 90.23 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.744 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.7 m -66.07 -37.95 87.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.246 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.85 -47.33 81.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.982 -177.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 51.1 mtm -58.19 -42.49 86.23 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.916 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -66.06 -38.44 88.32 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 113.586 -1.643 . . . . 0.0 109.916 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.709 ' O ' HG23 ' B' ' 14' ' ' VAL . 45.4 m -61.76 -43.07 99.57 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.025 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.49 -43.59 96.85 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.425 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.1 mt -64.27 -42.84 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.552 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -59.72 -39.09 83.51 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.273 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.709 HG23 ' O ' ' B' ' 10' ' ' THR . 82.0 t -65.36 -43.49 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.676 ' CE1' HD23 ' B' ' 28' ' ' LEU . 73.3 t80 -59.93 -52.94 63.25 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.015 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.61 -41.0 98.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.711 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.3 98.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.737 ' HB2' HD21 ' B' ' 36' ' ' LEU . 95.2 m-70 -98.82 -49.91 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.499 ' OG ' ' CD2' ' B' ' 28' ' ' LEU . 17.1 m -59.52 -37.23 77.81 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.727 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.16 -36.38 92.28 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.416 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -59.51 -36.58 76.35 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.535 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.3 mt-10 -120.82 149.83 41.97 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.781 0.801 . . . . 0.0 112.892 -177.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.87 -148.5 49.91 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 114.618 -1.173 . . . . 0.0 112.368 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -82.82 129.55 35.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.489 -0.855 . . . . 0.0 109.894 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.506 ' C ' ' H ' ' B' ' 27' ' ' LYS . 90.9 mttt -69.1 165.14 20.94 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 60.08 0.5 0.28 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.584 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.584 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 33.1 tptt -126.96 135.7 51.25 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.676 HD23 ' CE1' ' B' ' 15' ' ' PHE . 0.7 OUTLIER -101.96 128.07 48.54 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.995 0.426 . . . . 0.0 110.711 -177.014 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 79.1 p -103.98 160.09 15.11 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.416 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -55.42 -40.15 71.11 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.405 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -59.33 -48.72 80.57 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.512 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.535 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 98.5 mt-10 -62.49 -38.39 89.72 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.773 -177.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.29 -42.95 99.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.157 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.585 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.9 OUTLIER -61.74 -47.12 86.66 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.919 178.133 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.424 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -69.1 -38.38 78.92 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.239 -0.584 . . . . 0.0 112.068 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.737 HD21 ' HB2' ' B' ' 18' ' ' HIS . 71.7 mt -64.36 -49.67 70.72 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 119.59 -0.844 . . . . 0.0 112.167 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.534 HD21 ' OH ' ' B' ' 74' ' ' TYR . 66.4 mt -69.8 -42.89 73.14 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.466 -0.894 . . . . 0.0 111.225 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.585 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.8 tt0 -63.83 -42.73 97.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.052 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.5 t -82.71 -46.42 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.988 -0.685 . . . . 0.0 112.43 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.504 ' OE2' ' CG1' ' B' ' 14' ' ' VAL . 95.6 mt-10 -72.89 -35.57 67.15 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 119.714 -0.794 . . . . 0.0 111.671 -178.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 77.2 mt -123.68 53.78 1.34 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.823 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -55.17 -32.39 62.11 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.603 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.57 -67.46 1.52 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.496 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -58.26 -43.39 87.86 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.675 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.3 OUTLIER -90.48 -3.79 57.4 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.543 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 53.9 p30 -20.99 77.19 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.818 0.818 . . . . 0.0 112.598 -177.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.675 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -63.86 -24.63 67.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.281 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.57 -34.81 65.1 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.403 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.517 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 72.1 mmtt -58.96 -37.67 77.3 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.517 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.2 m-20 -142.33 89.08 2.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.206 -1.361 . . . . 0.0 110.522 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.44 -39.24 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.992 0.425 . . . . 0.0 110.532 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.646 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.3 p30 -61.66 -29.61 70.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.624 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.646 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -58.14 -30.42 66.33 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.457 HG21 ' HD3' ' B' ' 34' ' ' LYS . 58.5 t -57.06 -45.63 84.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 119.549 -0.86 . . . . 0.0 109.6 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -63.31 -39.35 94.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.38 0.609 . . . . 0.0 110.261 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -60.24 -41.95 94.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.545 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 m -76.43 -37.21 30.33 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.661 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.484 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.0 OUTLIER -62.65 -34.97 78.15 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.556 178.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' B' ' 58' ' ' MET . 81.3 tttt -58.27 -40.95 83.21 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.274 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.03 -37.15 86.67 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.443 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.712 HD21 HD22 ' B' ' 77' ' ' LEU . 81.9 mt -66.4 -36.14 82.09 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.519 0.676 . . . . 0.0 110.5 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -88.93 36.22 0.81 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.722 -1.126 . . . . 0.0 113.352 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.38 -30.52 12.48 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 176.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.553 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 13.9 m120 -52.29 -30.84 30.0 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.154 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.21 4.45 56.42 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 108.569 -1.812 . . . . 0.0 108.569 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' B' ' 66' ' ' ASP . 50.8 p30 -83.59 171.89 12.87 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-O 121.74 0.781 . . . . 0.0 109.592 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -99.71 -7.45 53.41 Favored Glycine 0 C--N 1.299 -1.483 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.164 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.422 ' OE2' ' CG ' ' B' ' 27' ' ' LYS . 77.4 tt0 -116.21 150.71 37.06 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.799 0.333 . . . . 0.0 110.354 -178.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.531 ' O ' ' O ' ' B' ' 28' ' ' LEU . 58.9 t -106.68 133.25 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.584 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 87.2 m-20 -85.39 145.77 27.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.382 178.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' B' ' 75' ' ' VAL . 70.8 t80 -55.2 -39.18 69.32 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.387 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -55.46 -41.0 72.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 119.679 -0.808 . . . . 0.0 108.995 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.553 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 97.5 mt-10 -68.01 -38.73 82.94 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.068 178.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.534 ' OH ' HD21 ' B' ' 37' ' ' LEU . 86.4 t80 -62.86 -44.21 96.73 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' B' ' 71' ' ' PHE . 34.4 m -68.2 -36.15 74.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.73 -46.17 95.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 119.279 -0.968 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.712 HD22 HD21 ' B' ' 61' ' ' LEU . 28.6 tp -68.57 -41.46 79.69 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.438 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.4 p -59.08 -33.67 51.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.458 -177.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.429 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -58.82 -37.6 76.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.652 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.35 -42.7 74.91 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.376 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.472 ' N ' HD12 ' B' ' 81' ' ' LEU . 7.0 mp -65.4 -38.22 89.31 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.1 t -57.95 -40.72 81.23 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.53 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.34 -42.21 92.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.045 0.45 . . . . 0.0 110.008 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.6 76.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.014 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 71.4 m -57.14 -37.01 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -56.94 -38.61 73.15 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.645 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 CA--C 1.517 -0.326 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.534 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.733 0.301 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -62.13 -34.48 76.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.746 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.463 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 34.9 tp -57.69 -41.05 80.84 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.282 -177.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.78 -41.02 94.73 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.41 -0.916 . . . . 0.0 108.969 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -65.61 -37.88 87.88 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.029 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.543 ' HB1' HD21 ' B' ' 11' ' ' LEU . . . -63.04 -46.52 87.14 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.294 -178.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.7 mtm -59.37 -41.21 88.77 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 118.798 -1.161 . . . . 0.0 109.557 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 97.8 mt-10 -67.4 -38.34 84.51 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.358 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 14' ' ' VAL . 42.2 m -63.49 -45.49 90.48 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 120.161 -0.615 . . . . 0.0 111.411 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.693 HD11 HD11 ' B' ' 11' ' ' LEU . 84.7 mt -62.47 -49.08 76.81 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.827 -0.749 . . . . 0.0 111.377 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.7 mt -62.16 -43.16 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.718 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 89.7 m-20 -61.19 -39.5 90.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.014 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 10' ' ' THR . 69.8 t -67.72 -49.44 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.774 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.426 ' HD1' HD13 ' A' ' 36' ' ' LEU . 65.7 m-85 -66.56 -44.54 82.01 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.756 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.85 -40.35 95.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.075 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.53 -52.61 62.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.014 -177.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -66.18 -40.69 90.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.936 0.398 . . . . 0.0 111.688 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' GLU . 12.5 t -58.13 -37.73 75.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.17 -178.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.6 -32.04 72.54 Favored Glycine 0 CA--C 1.522 0.509 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.522 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -57.31 -38.22 73.67 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.938 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.511 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -136.41 145.73 45.61 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.202 0.525 . . . . 0.0 111.98 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.58 -145.51 45.07 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 115.462 -0.79 . . . . 0.0 113.043 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -83.08 133.39 35.07 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 114.52 -0.84 . . . . 0.0 111.059 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.13 -40.01 73.12 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.746 0.784 . . . . 0.0 110.517 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.51 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 62.2 m-85 -71.84 -22.49 61.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.252 -1.34 . . . . 0.0 113.897 -177.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -112.62 142.56 45.07 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.3 mt -102.89 135.75 43.99 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.07 -1.423 . . . . 0.0 107.755 174.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.8 t -100.54 159.86 14.82 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.487 ' CE ' ' OD1' ' A' ' 55' ' ' ASP . 63.7 tttm -50.11 -40.02 44.59 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 118.726 -1.19 . . . . 0.0 109.094 -177.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -62.03 -50.31 72.55 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.046 -0.662 . . . . 0.0 112.089 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.511 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.6 mt-10 -63.53 -40.74 97.82 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.684 -175.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.7 -40.41 96.72 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.596 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.558 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -60.28 -45.32 93.75 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.192 177.785 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.839 ' O ' HG22 ' A' ' 39' ' ' THR . 78.1 mm-40 -68.31 -38.62 81.77 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 119.59 -0.844 . . . . 0.0 112.134 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.426 HD13 ' HD1' ' A' ' 15' ' ' PHE . 26.7 mt -62.28 -51.47 67.57 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 119.666 -0.814 . . . . 0.0 111.803 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 42' ' ' SER . 61.2 mt -70.44 -43.15 70.49 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 119.293 -0.963 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.558 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.8 tt0 -57.82 -41.24 81.8 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.99 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.839 HG22 ' O ' ' A' ' 35' ' ' GLU . 13.5 t -81.9 -32.6 30.88 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 119.192 -1.003 . . . . 0.0 111.792 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.765 ' HG3' HG23 ' A' ' 39' ' ' THR . 96.3 mt-10 -109.89 -45.03 3.69 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 117.852 2.538 . . . . 0.0 117.852 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.5 mt -131.9 0.66 3.9 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.661 ' O ' ' N ' ' A' ' 46' ' ' ASP . 22.8 t -53.51 -43.1 68.03 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 117.425 -1.71 . . . . 0.0 110.742 -174.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.55 -37.97 68.62 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 119.126 -1.512 . . . . 0.0 110.579 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -56.37 -39.6 73.2 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.8 mt -91.74 -72.72 0.57 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.479 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.707 ' OD2' ' HB1' ' A' ' 53' ' ' ALA . 84.6 m-20 -109.37 -112.6 0.31 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.518 ' HB2' ' OG ' ' A' ' 42' ' ' SER . . . 31.15 -59.63 0.0 OUTLIER 'General case' 0 C--N 1.354 0.764 0 C-N-CA 126.141 1.777 . . . . 0.0 113.944 -177.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.698 ' N ' ' O ' ' A' ' 46' ' ' ASP . 94.8 mt-30 -57.02 -36.1 70.05 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.332 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -90.25 -76.91 0.42 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.096 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -98.85 122.24 41.84 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.264 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.01 -38.63 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.68 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 48.9 p30 -87.03 11.03 14.67 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -177.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.707 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -58.59 -27.83 65.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.548 HG21 ' HD3' ' A' ' 34' ' ' LYS . 69.4 t -56.17 -45.51 80.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.787 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.487 ' OD1' ' CE ' ' A' ' 30' ' ' LYS . 87.2 m-20 -63.37 -40.72 98.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.357 0.599 . . . . 0.0 110.493 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -60.98 -41.78 97.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.858 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.8 m -75.98 -38.71 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 C-N-CA 119.315 -0.954 . . . . 0.0 111.928 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.538 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 ppp? -63.07 -36.86 84.98 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.567 -0.853 . . . . 0.0 110.271 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -58.58 -40.97 84.65 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.508 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -65.04 -38.01 89.46 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.863 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.502 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 72.8 mt -66.99 -37.48 84.29 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.144 0.497 . . . . 0.0 110.495 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.85 32.94 1.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.026 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.65 -34.19 57.77 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.444 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.552 HD21 ' CG ' ' A' ' 66' ' ' ASP . 36.7 p-10 -58.71 -28.5 65.87 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.8 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.72 7.0 63.37 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.177 178.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.674 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.2 p30 -60.87 -35.15 75.85 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.734 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.674 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 93.23 -9.23 75.01 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -114.55 144.2 43.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.38 126.66 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.968 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -92.46 132.8 36.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.933 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.588 ' O ' HG23 ' A' ' 75' ' ' VAL . 86.1 t80 -50.38 -38.43 42.5 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.731 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.69 -40.5 88.08 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.561 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.502 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 99.7 mt-10 -67.29 -39.7 86.03 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.352 0.596 . . . . 0.0 110.287 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.411 ' CE2' HG21 ' A' ' 78' ' ' VAL . 81.9 t80 -63.94 -43.01 97.12 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.583 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.992 HG12 ' HB1' ' B' ' 79' ' ' ALA . 70.9 t -60.3 -42.34 90.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.031 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.0 -43.51 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.344 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.49 HD22 HD21 ' A' ' 61' ' ' LEU . 30.1 tp -63.34 -39.76 95.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.278 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 82' ' ' THR . 55.9 t -60.35 -38.75 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.301 -0.559 . . . . 0.0 111.805 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 1.01 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -59.75 -39.62 85.4 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.53 -45.94 60.95 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.068 -0.653 . . . . 0.0 112.225 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -67.32 -37.57 83.55 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -178.749 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.558 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.4 t -56.47 -41.47 76.63 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.97 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.81 -41.21 89.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.06 -31.23 72.34 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.412 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -54.82 -35.7 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.06 -179.633 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.444 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 18.7 t-20 -56.28 -36.93 69.17 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.235 0.54 . . . . 0.0 110.293 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.838 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.772 0.32 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -62.26 -34.29 76.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.756 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.469 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 35.1 tp -57.92 -40.88 81.47 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.217 -177.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -60.94 -40.81 94.69 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.033 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.6 m -65.57 -38.1 88.56 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.959 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.532 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -62.94 -46.58 87.08 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.281 -178.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.7 mtm -59.33 -41.24 88.65 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 118.764 -1.175 . . . . 0.0 109.555 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 97.8 mt-10 -67.43 -38.33 84.39 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.331 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.59 ' O ' HG23 ' B' ' 14' ' ' VAL . 42.6 m -63.47 -45.49 90.54 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.173 -0.611 . . . . 0.0 111.402 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.693 HD11 HD11 ' A' ' 11' ' ' LEU . 84.7 mt -62.43 -49.11 76.75 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 119.918 -0.713 . . . . 0.0 111.379 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.7 mt -62.25 -43.04 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.736 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 89.5 m-20 -61.26 -39.52 90.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.018 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 10' ' ' THR . 69.3 t -67.73 -49.42 69.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.776 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.437 ' HD1' HD13 ' B' ' 36' ' ' LEU . 65.7 m-85 -66.48 -44.69 81.97 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.779 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.68 -40.43 94.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.101 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.66 -52.56 62.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.915 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -66.13 -40.72 90.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.932 0.396 . . . . 0.0 111.707 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.407 ' O ' ' O ' ' B' ' 22' ' ' GLU . 12.4 t -58.19 -37.66 75.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.166 -178.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.67 -32.05 72.89 Favored Glycine 0 CA--C 1.521 0.454 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.483 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -57.31 -38.22 73.68 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.866 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.511 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -136.41 145.81 45.72 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.297 0.57 . . . . 0.0 111.989 179.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.48 -145.55 44.8 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-N 115.495 -0.775 . . . . 0.0 113.057 177.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -83.02 133.41 35.09 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 114.604 -0.798 . . . . 0.0 111.062 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.18 -39.95 73.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.76 0.79 . . . . 0.0 110.545 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.504 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 63.1 m-85 -71.84 -22.59 61.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.214 -1.357 . . . . 0.0 113.86 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -112.67 142.62 45.06 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.9 mt -102.95 135.7 44.14 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.002 -1.453 . . . . 0.0 107.739 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 45.9 t -100.52 159.86 14.82 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.488 ' CE ' ' OD1' ' B' ' 55' ' ' ASP . 63.7 tttm -50.09 -40.04 44.42 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 118.764 -1.174 . . . . 0.0 109.113 -177.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -62.0 -50.32 72.51 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.969 -0.693 . . . . 0.0 112.105 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.511 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.7 mt-10 -63.5 -40.77 97.95 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.652 -175.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.67 -40.44 96.82 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.636 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.556 ' HD3' HG21 ' B' ' 54' ' ' VAL . 0.3 OUTLIER -60.28 -45.31 93.79 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.245 177.77 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.829 ' O ' HG22 ' B' ' 39' ' ' THR . 78.3 mm-40 -68.24 -38.58 81.96 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 119.643 -0.823 . . . . 0.0 112.159 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.437 HD13 ' HD1' ' B' ' 15' ' ' PHE . 26.7 mt -62.32 -51.65 66.83 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.763 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' B' ' 42' ' ' SER . 61.2 mt -70.24 -43.18 71.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 119.307 -0.957 . . . . 0.0 111.137 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.509 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.8 tt0 -57.8 -41.21 81.69 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.983 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.829 HG22 ' O ' ' B' ' 35' ' ' GLU . 13.5 t -82.03 -32.51 30.44 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.782 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.758 ' HG3' HG23 ' B' ' 39' ' ' THR . 96.3 mt-10 -109.92 -45.06 3.69 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 -177.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 52.2 mt -131.88 0.66 3.9 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.661 ' O ' ' N ' ' B' ' 46' ' ' ASP . 22.8 t -53.48 -43.17 67.99 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 117.405 -1.718 . . . . 0.0 110.749 -174.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.48 -37.99 69.28 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 119.125 -1.512 . . . . 0.0 110.664 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -56.29 -39.62 72.99 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 35.8 mt -91.74 -72.7 0.57 Allowed 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.494 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.71 ' O ' ' N ' ' B' ' 48' ' ' GLN . 84.5 m-20 -109.39 -112.55 0.31 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.513 ' HB2' ' OG ' ' B' ' 42' ' ' SER . . . 31.08 -59.6 0.0 OUTLIER 'General case' 0 C--N 1.354 0.783 0 CA-C-N 113.281 -1.781 . . . . 0.0 114.015 -177.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.71 ' N ' ' O ' ' B' ' 46' ' ' ASP . 94.8 mt-30 -57.03 -35.96 69.91 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.62 -0.832 . . . . 0.0 110.395 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -90.36 -76.96 0.42 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.021 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -98.8 122.23 41.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.283 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.81 -38.89 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.725 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' B' ' 52' ' ' ASP . 49.1 p30 -86.99 11.2 14.17 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -177.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.708 ' HB1' ' OD2' ' B' ' 46' ' ' ASP . . . -58.76 -27.71 65.23 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.556 HG21 ' HD3' ' B' ' 34' ' ' LYS . 70.8 t -56.32 -45.34 81.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.739 -178.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.488 ' OD1' ' CE ' ' B' ' 30' ' ' LYS . 87.2 m-20 -63.4 -40.77 98.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.392 0.615 . . . . 0.0 110.471 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -60.99 -41.78 97.12 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.865 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 23.0 m -76.03 -38.64 35.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 C-N-CA 119.291 -0.963 . . . . 0.0 111.863 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.533 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -63.03 -36.94 85.23 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.241 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -58.56 -40.93 84.46 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.522 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.19 -37.88 88.72 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.871 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.51 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 73.4 mt -67.0 -37.51 84.32 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.205 0.526 . . . . 0.0 110.492 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.88 32.89 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.052 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.54 -34.27 57.62 Favored 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.46 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.541 HD21 ' CG ' ' B' ' 66' ' ' ASP . 36.6 p-10 -58.71 -28.5 65.88 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.783 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.69 7.0 63.43 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.172 178.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.673 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.2 p30 -60.94 -35.03 75.67 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.709 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.673 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 93.25 -9.24 74.94 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -114.53 144.03 44.02 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.2 t -102.22 126.51 56.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.023 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -92.36 132.87 36.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.967 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.593 ' O ' HG23 ' B' ' 75' ' ' VAL . 86.3 t80 -50.37 -38.47 42.59 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.735 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.66 -40.43 87.7 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.582 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.51 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 99.7 mt-10 -67.35 -39.71 85.77 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.385 0.612 . . . . 0.0 110.252 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.411 ' CE2' HG21 ' B' ' 78' ' ' VAL . 81.8 t80 -63.97 -42.98 97.1 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.609 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 1.01 HG12 ' HB1' ' A' ' 79' ' ' ALA . 71.2 t -60.32 -42.35 90.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.059 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 78.8 t -61.95 -43.54 97.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 119.874 -0.731 . . . . 0.0 110.286 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.485 HD22 HD21 ' B' ' 61' ' ' LEU . 30.2 tp -63.31 -39.77 95.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.259 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.537 ' O ' HG22 ' B' ' 82' ' ' THR . 55.8 t -60.39 -38.72 78.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.894 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.992 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -59.7 -39.68 85.42 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.48 -46.0 61.02 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.201 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.563 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 0.7 OUTLIER -67.26 -37.55 83.67 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.558 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.4 t -56.46 -41.55 76.71 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.95 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.79 -41.26 89.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.96 -31.3 72.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.454 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -54.83 -35.64 64.16 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.051 -179.592 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.448 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 18.8 t-20 -56.4 -36.86 69.38 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.17 0.51 . . . . 0.0 110.228 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.523 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 29.9 t . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.616 0.246 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.3 -36.39 83.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.79 -40.19 87.48 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.847 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.4 -40.43 94.34 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.9 m -64.73 -39.32 93.44 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.386 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.46 -48.52 72.39 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.0 mtm -58.19 -40.51 81.71 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 118.697 -1.201 . . . . 0.0 109.146 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.588 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.9 mt-10 -66.77 -36.66 82.94 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.428 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.41 ' O ' HG13 ' A' ' 14' ' ' VAL . 48.0 m -61.82 -42.88 99.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.211 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.61 -44.57 96.15 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.627 0.727 . . . . 0.0 110.558 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.92 -42.46 88.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.876 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.588 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 85.8 m-20 -60.84 -40.5 93.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.244 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 10' ' ' THR . 21.1 m -75.57 -37.16 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.878 178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.608 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 2.4 t80 -63.13 -50.1 71.77 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.515 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.85 -42.24 98.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.28 -41.6 99.0 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -177.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.694 ' HB2' HD21 ' A' ' 36' ' ' LEU . 97.3 m-70 -93.54 -28.69 15.92 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -178.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.4 p -61.95 -29.6 70.34 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.392 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.05 -27.62 62.67 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-N 115.3 -0.864 . . . . 0.0 114.227 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 22' ' ' GLU . 12.8 ptpt -57.75 -44.09 85.87 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -175.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.569 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 96.4 mt-10 -147.42 160.96 41.97 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.609 ' O ' ' O ' ' A' ' 24' ' ' ASP . . . 40.44 112.22 0.0 OUTLIER Glycine 0 CA--C 1.523 0.569 0 CA-C-N 114.758 -1.11 . . . . 0.0 113.36 177.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.609 ' O ' ' O ' ' A' ' 23' ' ' GLY . 91.5 m-20 33.13 112.24 0.0 OUTLIER 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.661 0.743 . . . . 0.0 112.511 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.62 -39.0 75.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.847 0.832 . . . . 0.0 109.791 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.59 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.1 m-30 -72.39 -24.1 61.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.067 -1.424 . . . . 0.0 112.758 -176.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 24' ' ' ASP . 52.2 mtpt -121.85 151.3 40.79 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.832 0.348 . . . . 0.0 111.565 -178.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -90.48 140.03 30.12 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.384 0.611 . . . . 0.0 111.237 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 t -93.95 154.55 17.62 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 177.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -54.23 -39.07 66.42 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 118.764 -1.175 . . . . 0.0 109.451 -177.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -60.45 -49.48 77.39 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.406 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.569 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.0 mt-10 -63.0 -39.09 93.7 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.856 -0.738 . . . . 0.0 110.425 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.46 -41.83 99.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 114.735 -1.121 . . . . 0.0 109.408 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.605 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -61.16 -46.31 91.03 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.516 177.487 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -67.78 -37.25 81.8 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.903 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 18' ' ' HIS . 60.5 mt -65.72 -46.53 78.6 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.941 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.454 HD21 ' OH ' ' A' ' 74' ' ' TYR . 67.8 mt -71.28 -46.24 61.31 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.411 -0.916 . . . . 0.0 111.368 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.605 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 64.4 tt0 -63.34 -42.71 98.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.748 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -81.67 -45.32 15.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.505 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 73.6 mm-40 -71.9 -35.92 69.85 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.928 -178.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.2 mt -124.66 65.94 1.09 Allowed 'General case' 0 C--O 1.24 0.576 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.309 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.1 p -58.82 -25.46 63.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.847 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.1 -70.05 1.33 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.809 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -58.83 -41.94 88.08 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -90.53 -4.13 57.13 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.862 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.52 ' C ' ' O ' ' A' ' 45' ' ' LEU . 21.6 t70 -26.68 87.54 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.422 0.63 . . . . 0.0 111.058 -178.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.588 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -66.05 -17.21 64.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.85 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -54.63 -36.06 64.12 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.526 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 88.3 mttt -59.66 -39.28 83.88 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.108 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.526 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.1 m-20 -142.83 87.84 2.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.071 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.47 -44.76 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.268 0.556 . . . . 0.0 111.331 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -60.02 -33.08 71.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.929 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.16 -27.68 62.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.044 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.419 ' O ' HG22 ' A' ' 57' ' ' VAL . 53.9 t -55.29 -45.61 77.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 119.586 -0.845 . . . . 0.0 109.659 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.47 -39.05 93.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.541 0.686 . . . . 0.0 110.27 177.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.77 -41.56 91.34 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.302 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 54' ' ' VAL . 24.5 m -76.35 -37.58 31.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 C-N-CA 119.381 -0.928 . . . . 0.0 111.746 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.563 ' C ' ' SD ' ' A' ' 58' ' ' MET . 0.6 OUTLIER -61.03 -37.02 81.09 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.484 -0.887 . . . . 0.0 109.706 179.061 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -57.83 -40.55 80.31 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.0 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.35 -36.2 83.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.39 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.766 HD21 HD22 ' A' ' 77' ' ' LEU . 86.5 mt -65.99 -37.41 85.87 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.589 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 53.4 t0 -77.62 90.13 3.94 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.419 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.75 -38.67 89.75 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.318 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.488 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 43.6 p-10 -90.97 0.11 57.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.54 30.72 73.13 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.481 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.589 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 51.6 p30 -87.45 6.61 33.14 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.438 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 65.4 -7.96 0.82 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' A' ' 66' ' ' ASP . 84.5 tt0 -109.96 143.59 39.69 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.2 t -105.79 131.66 54.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.308 0.575 . . . . 0.0 109.893 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 54.8 t0 -98.23 147.46 24.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.516 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.608 ' CE1' ' CD2' ' A' ' 15' ' ' PHE . 81.2 t80 -51.31 -38.2 51.68 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -58.7 -39.67 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.11 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.46 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -67.52 -41.48 84.34 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.336 0.589 . . . . 0.0 110.639 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.454 ' OH ' HD21 ' A' ' 37' ' ' LEU . 89.4 t80 -64.99 -43.96 90.89 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.992 HG12 ' HB1' ' B' ' 79' ' ' ALA . 77.7 t -62.03 -40.98 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.878 -178.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.64 -45.14 99.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.998 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.766 HD22 HD21 ' A' ' 61' ' ' LEU . 27.7 tp -67.15 -40.91 86.76 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.1 p -57.8 -33.59 45.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 119.164 -1.015 . . . . 0.0 110.318 -178.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.971 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -60.2 -40.95 91.87 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.097 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.76 -40.36 76.14 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.283 -0.567 . . . . 0.0 111.085 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.41 -39.45 94.54 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.4 t -59.97 -40.84 90.49 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.225 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.9 -41.06 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.599 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.85 76.25 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.241 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -55.7 -37.68 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.566 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.488 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 18.7 t-20 -57.26 -39.4 75.53 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.172 0.51 . . . . 0.0 110.593 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 CA--C 1.52 -0.176 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.594 -179.52 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.455 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 29.9 t . . . . . 0 CA--C 1.52 -0.194 0 CA-C-O 120.585 0.231 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.2 -36.54 84.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 34.7 tp -59.64 -40.31 87.24 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.908 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.31 -40.48 94.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.9 m -64.62 -39.41 93.65 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.422 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.41 -48.47 72.7 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.1 mtm -58.24 -40.45 81.77 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 118.626 -1.23 . . . . 0.0 109.229 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.596 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.9 mt-10 -66.76 -36.74 83.13 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.425 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.418 ' O ' HG13 ' B' ' 14' ' ' VAL . 46.6 m -61.65 -42.99 99.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.248 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.56 -44.57 96.01 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.588 0.709 . . . . 0.0 110.656 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.86 -42.45 89.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.957 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.596 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 85.9 m-20 -60.91 -40.41 93.03 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.268 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.418 HG13 ' O ' ' B' ' 10' ' ' THR . 21.2 m -75.6 -37.17 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.907 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.603 ' CD2' ' CE1' ' B' ' 71' ' ' PHE . 2.4 t80 -63.05 -50.11 71.9 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.478 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.93 -42.2 98.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.62 98.98 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -177.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.684 ' HB2' HD21 ' B' ' 36' ' ' LEU . 97.4 m-70 -93.51 -28.68 15.93 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -178.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.8 p -61.92 -29.58 70.31 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.382 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.16 -27.48 62.74 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 115.295 -0.866 . . . . 0.0 114.245 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' B' ' 22' ' ' GLU . 12.8 ptpt -57.89 -44.04 86.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -175.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.56 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 96.4 mt-10 -147.38 160.9 42.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -179.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.606 ' O ' ' O ' ' B' ' 24' ' ' ASP . . . 40.53 112.19 0.0 OUTLIER Glycine 0 CA--C 1.523 0.538 0 CA-C-N 114.775 -1.102 . . . . 0.0 113.283 177.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.606 ' O ' ' O ' ' B' ' 23' ' ' GLY . 91.1 m-20 33.15 112.15 0.0 OUTLIER 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.673 0.749 . . . . 0.0 112.567 178.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -57.49 -39.1 75.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.796 0.808 . . . . 0.0 109.81 179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.596 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.1 m-30 -72.37 -24.1 61.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.019 -1.446 . . . . 0.0 112.774 -176.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' B' ' 24' ' ' ASP . 52.4 mtpt -121.88 151.36 40.77 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.816 0.341 . . . . 0.0 111.574 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -90.49 140.09 30.06 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.448 0.642 . . . . 0.0 111.237 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.5 t -93.99 154.58 17.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -54.29 -38.96 66.5 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.476 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -60.33 -49.64 76.78 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.404 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.56 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.1 mt-10 -63.0 -39.08 93.68 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.669 0.747 . . . . 0.0 110.506 -176.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.39 -41.92 99.02 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.431 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.588 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.9 OUTLIER -61.12 -46.32 91.05 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.512 177.485 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.479 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -67.9 -37.16 81.39 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.771 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.684 HD21 ' HB2' ' B' ' 18' ' ' HIS . 60.7 mt -65.77 -46.45 78.71 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.995 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.455 HD21 ' OH ' ' B' ' 74' ' ' TYR . 67.9 mt -71.29 -46.2 61.35 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.474 -0.89 . . . . 0.0 111.402 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.588 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.3 tt0 -63.31 -42.76 99.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.761 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.479 HG22 ' O ' ' B' ' 35' ' ' GLU . 1.0 OUTLIER -81.71 -45.25 15.95 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.422 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.523 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 73.6 mm-40 -71.98 -35.88 69.65 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 118.956 -1.098 . . . . 0.0 110.861 -178.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 74.3 mt -124.7 65.99 1.1 Allowed 'General case' 0 C--O 1.239 0.534 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.324 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -58.83 -25.4 63.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.921 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.11 -69.97 1.33 Allowed Glycine 0 CA--C 1.53 1.0 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.866 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -58.97 -41.79 88.4 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.6 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.7 OUTLIER -90.66 -4.1 57.03 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' B' ' 45' ' ' LEU . 21.8 t70 -26.76 87.68 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.506 0.67 . . . . 0.0 110.975 -178.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -66.08 -17.28 64.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.8 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -54.56 -36.16 64.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.521 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 88.3 mttt -59.64 -39.24 83.71 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.136 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.521 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.0 m-20 -142.82 87.87 2.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.155 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.6 -44.66 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.3 0.572 . . . . 0.0 111.317 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.02 -33.15 71.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.931 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.19 -27.59 62.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.404 . . . . 0.0 112.04 -178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.421 ' O ' HG22 ' B' ' 57' ' ' VAL . 53.9 t -55.28 -45.62 77.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.652 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.5 -39.03 93.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.529 0.681 . . . . 0.0 110.217 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.92 -41.41 91.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.318 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.421 HG22 ' O ' ' B' ' 54' ' ' VAL . 24.8 m -76.47 -37.39 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.71 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.564 ' C ' ' SD ' ' B' ' 58' ' ' MET . 0.6 OUTLIER -61.16 -36.97 81.22 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.421 -0.912 . . . . 0.0 109.719 179.048 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -57.79 -40.63 80.32 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 119.82 -0.752 . . . . 0.0 108.999 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.34 -36.17 83.21 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.468 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.775 HD21 HD22 ' B' ' 77' ' ' LEU . 86.5 mt -65.97 -37.36 85.78 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.59 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 53.4 t0 -77.72 90.31 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.326 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.94 -38.67 89.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.212 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.489 ' OD1' ' OD1' ' B' ' 62' ' ' ASP . 43.4 p-10 -90.94 0.23 57.57 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -177.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.47 30.68 73.26 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.464 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.59 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 51.5 p30 -87.38 6.69 32.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.486 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 65.38 -7.98 0.8 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.557 ' H ' ' C ' ' B' ' 66' ' ' ASP . 84.4 tt0 -109.94 143.68 39.55 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -105.83 131.62 54.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.294 0.569 . . . . 0.0 109.843 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 54.7 t0 -98.17 147.5 24.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.492 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.603 ' CE1' ' CD2' ' B' ' 15' ' ' PHE . 81.1 t80 -51.42 -38.12 51.98 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -58.73 -39.63 81.42 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.151 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.457 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 98.8 mt-10 -67.61 -41.46 83.97 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.326 0.584 . . . . 0.0 110.582 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.455 ' OH ' HD21 ' B' ' 37' ' ' LEU . 89.5 t80 -64.92 -44.1 90.61 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.971 HG12 ' HB1' ' A' ' 79' ' ' ALA . 77.8 t -61.97 -40.92 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.869 -178.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.75 -45.16 99.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.9 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.775 HD22 HD21 ' B' ' 61' ' ' LEU . 27.6 tp -67.07 -40.98 87.14 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.524 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.1 p -57.74 -33.76 46.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 C-N-CA 119.222 -0.991 . . . . 0.0 110.264 -178.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.992 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -60.01 -41.06 91.31 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.139 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.85 -40.26 75.89 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.014 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.9 mt -63.51 -39.35 94.2 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.542 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.4 t -60.03 -40.85 90.74 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 118.956 -1.098 . . . . 0.0 109.127 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.2 t -62.01 -40.94 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.86 76.32 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.264 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.542 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -55.67 -37.66 68.57 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.615 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.478 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 18.7 t-20 -57.35 -39.31 75.65 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.649 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 C--N 1.332 -0.166 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.592 -179.575 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 120.968 0.413 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.88 -35.91 79.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.62 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.452 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 37.1 tp -58.79 -40.29 83.58 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.685 -178.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.19 -40.34 89.71 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.04 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -64.96 -39.17 93.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.234 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.62 87.66 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mtm -57.85 -40.86 81.13 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 118.378 -1.329 . . . . 0.0 108.746 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.606 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 98.5 mt-10 -67.57 -35.72 79.56 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.924 178.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.5 m -62.27 -44.24 96.99 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.789 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.402 ' O ' HG22 ' A' ' 14' ' ' VAL . 78.6 mt -59.76 -45.21 92.94 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.919 0.866 . . . . 0.0 110.301 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.68 -38.68 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.497 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.606 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 2.4 m120 -60.8 -40.88 94.34 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 11' ' ' LEU . 35.3 m -74.95 -39.88 45.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 119.519 -0.872 . . . . 0.0 111.073 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.588 ' CD1' HD13 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -63.43 -53.46 51.87 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.461 0.648 . . . . 0.0 111.029 178.478 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -61.78 -44.48 96.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.977 -1.01 . . . . 0.0 113.401 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.31 -52.97 41.9 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 119.846 -0.741 . . . . 0.0 112.753 -177.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.459 ' CG ' HD21 ' A' ' 36' ' ' LEU . 98.4 m-70 -69.57 -47.06 64.87 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.501 ' O ' ' O ' ' A' ' 22' ' ' GLU . 78.8 p -63.58 -28.52 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.426 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.79 -34.45 82.53 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.802 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.78 -41.39 86.57 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.176 -0.609 . . . . 0.0 110.975 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.579 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.0 mt-10 -153.09 160.38 42.91 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.509 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.01 34.44 52.54 Favored Glycine 0 CA--C 1.525 0.657 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.154 177.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 61.14 137.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.35 0.595 . . . . 0.0 111.219 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -58.82 -34.71 71.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.706 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 74.5 m-85 -100.85 9.61 42.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -176.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.588 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 41.8 tptt -124.62 137.55 54.37 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.589 ' O ' ' O ' ' A' ' 69' ' ' VAL . 8.0 tp -105.96 126.61 52.39 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.6 t -103.15 155.17 18.6 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.892 -0.505 . . . . 0.0 112.129 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -54.01 -40.43 67.0 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.128 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -58.91 -47.98 83.07 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.379 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.579 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 98.9 mt-10 -62.84 -41.57 99.39 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.578 -177.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.51 -40.9 98.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.068 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.707 ' HD3' HG11 ' A' ' 54' ' ' VAL . 9.0 tptp -61.48 -48.6 80.35 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.793 177.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.438 ' O ' HG22 ' A' ' 39' ' ' THR . 77.6 mm-40 -69.11 -38.98 79.2 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.518 -179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.459 HD21 ' CG ' ' A' ' 18' ' ' HIS . 89.5 mt -66.07 -47.12 75.31 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 119.701 -0.8 . . . . 0.0 112.19 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.552 HD21 ' OH ' ' A' ' 74' ' ' TYR . 50.5 mt -71.21 -44.56 65.16 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.385 -0.926 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -62.95 -42.0 99.68 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.487 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.457 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.2 t -83.06 -45.24 14.26 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.0 -0.68 . . . . 0.0 112.712 -178.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 39' ' ' THR . 95.4 mt-10 -71.68 -35.91 70.45 Favored 'General case' 0 CA--C 1.523 -0.067 0 C-N-CA 119.644 -0.822 . . . . 0.0 111.854 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 45' ' ' LEU . 61.5 mt -123.07 51.38 1.45 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.664 0.269 . . . . 0.0 110.49 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.9 p -57.9 -25.23 60.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.193 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.52 -69.64 1.35 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 121.101 -0.571 . . . . 0.0 111.742 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -58.51 -43.74 89.24 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.612 ' O ' ' N ' ' A' ' 47' ' ' ALA . 40.4 mt -93.09 -0.54 57.03 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.552 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 53.4 p30 -19.8 81.21 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 122.127 0.965 . . . . 0.0 112.183 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.612 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -64.07 -18.02 63.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.26 -1.336 . . . . 0.0 111.491 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -54.41 -34.54 61.54 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.44 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -58.89 -36.88 75.4 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.546 ' CG ' ' H ' ' A' ' 53' ' ' ALA . 63.8 t0 -142.57 96.71 2.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.048 -1.433 . . . . 0.0 111.168 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.405 ' O ' HG22 ' A' ' 54' ' ' VAL . 77.1 t -61.16 -40.53 86.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -60.7 -29.66 69.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.159 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.546 ' H ' ' CG ' ' A' ' 50' ' ' ASP . . . -52.77 -34.17 51.89 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.35 -0.54 . . . . 0.0 111.55 -176.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.707 HG11 ' HD3' ' A' ' 34' ' ' LYS . 4.2 m -60.0 -42.69 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 119.65 -0.82 . . . . 0.0 108.878 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.492 ' N ' HG23 ' A' ' 54' ' ' VAL . 56.0 t0 -64.38 -39.51 94.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.39 0.614 . . . . 0.0 110.281 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -60.18 -42.69 95.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.204 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.6 m -76.5 -36.27 28.03 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 C-N-CA 119.307 -0.957 . . . . 0.0 111.677 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.531 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.1 ppp? -62.39 -35.22 78.5 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.44 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -57.62 -40.84 80.09 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.948 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.9 -36.96 86.04 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.163 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.49 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 81.7 mt -66.5 -36.95 84.0 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.299 0.571 . . . . 0.0 110.375 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.524 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 99.4 m-20 -99.21 34.91 2.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.918 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -51.17 -30.3 16.38 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 121.425 0.631 . . . . 0.0 109.524 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.496 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 14.6 m120 -52.67 -34.25 51.0 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.598 -178.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.73 2.47 63.02 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 -178.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.694 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.9 p30 -61.83 -35.68 78.97 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 114.968 -0.616 . . . . 0.0 111.963 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.694 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 92.81 -6.97 77.15 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.524 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 42.2 tp10 -119.3 148.49 43.11 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.589 ' O ' ' O ' ' A' ' 28' ' ' LEU . 43.6 t -110.32 133.99 53.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 CA-C-O 121.276 0.56 . . . . 0.0 111.653 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.588 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 87.4 m-20 -95.78 147.52 23.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.844 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.549 ' CZ ' ' CG1' ' A' ' 75' ' ' VAL . 87.5 t80 -53.61 -38.08 63.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.476 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.434 ' O ' HG22 ' A' ' 75' ' ' VAL . 63.1 tt0 -55.32 -40.65 71.41 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.098 -0.641 . . . . 0.0 109.513 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.496 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 98.9 mt-10 -67.17 -38.52 85.59 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.306 0.574 . . . . 0.0 109.941 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.83 ' O ' HG23 ' A' ' 78' ' ' VAL . 87.0 t80 -61.49 -43.61 98.55 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.667 ' HB ' ' HB1' ' B' ' 79' ' ' ALA . 35.1 m -67.2 -35.62 74.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.41 -46.53 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.237 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.411 ' HB2' HD21 ' A' ' 61' ' ' LEU . 31.3 tp -66.2 -38.95 89.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 74' ' ' TYR . 73.9 t -61.01 -41.11 87.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 C-N-CA 120.676 -0.409 . . . . 0.0 112.074 -178.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.672 ' HB1' ' HB ' ' B' ' 75' ' ' VAL . . . -62.2 -40.78 97.2 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.922 -178.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.96 -42.62 66.36 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.67 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -65.22 -41.93 93.93 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.868 -177.286 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 78' ' ' VAL . 1.2 t -58.71 -41.11 85.56 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.242 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.29 -41.85 91.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.48 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.27 71.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.547 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.553 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.7 OUTLIER -54.77 -35.83 64.22 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.593 -179.13 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.441 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 86.4 m-20 -56.71 -35.37 68.45 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.016 0.436 . . . . 0.0 110.273 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.897 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 98.2 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.884 0.373 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.91 -35.92 79.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.677 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.445 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 37.1 tp -58.69 -40.43 83.6 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.598 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.15 -40.31 89.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.105 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -65.0 -39.14 93.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.249 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.68 87.66 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.5 mtm -57.88 -40.82 81.15 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 118.289 -1.364 . . . . 0.0 108.725 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.599 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 98.5 mt-10 -67.58 -35.79 79.68 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.897 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 55.9 m -62.09 -44.36 96.83 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.769 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.8 -45.14 93.24 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-O 121.858 0.837 . . . . 0.0 110.326 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.4 mt -66.64 -38.7 82.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.436 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.599 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 2.4 m120 -60.9 -40.91 94.88 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.007 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 35.3 m -74.88 -39.87 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 119.612 -0.835 . . . . 0.0 111.133 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.578 ' CD1' HD13 ' B' ' 28' ' ' LEU . 0.8 OUTLIER -63.54 -53.37 52.9 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.33 0.585 . . . . 0.0 110.996 178.489 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -61.82 -44.47 96.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.977 -1.011 . . . . 0.0 113.4 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.28 -53.03 41.48 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.878 -0.729 . . . . 0.0 112.714 -177.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.459 ' CG ' HD21 ' B' ' 36' ' ' LEU . 98.4 m-70 -69.6 -47.0 65.0 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.504 ' O ' ' O ' ' B' ' 22' ' ' GLU . 78.7 p -63.63 -28.49 69.95 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.411 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.77 -34.49 82.63 Favored Glycine 0 CA--C 1.521 0.445 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.804 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.65 -41.42 86.03 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.029 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.592 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.1 mt-10 -153.15 160.36 42.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.447 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.17 34.3 52.05 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.178 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 61.11 138.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.34 0.591 . . . . 0.0 111.283 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -58.78 -34.77 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.73 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 75.1 m-85 -100.88 9.69 42.01 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.578 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 41.7 tptt -124.66 137.55 54.36 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.593 ' O ' ' O ' ' B' ' 69' ' ' VAL . 8.0 tp -105.99 126.55 52.33 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 30.6 t -103.13 155.15 18.61 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.909 -0.495 . . . . 0.0 112.092 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -54.07 -40.4 67.15 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.063 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -58.94 -47.94 83.28 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.377 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.592 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 98.9 mt-10 -62.85 -41.59 99.41 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.579 -177.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.48 -40.84 97.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.172 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.722 ' HD3' HG11 ' B' ' 54' ' ' VAL . 9.0 tptp -61.6 -48.54 80.46 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.758 177.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.454 ' O ' HG22 ' B' ' 39' ' ' THR . 77.6 mm-40 -69.15 -38.97 79.06 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 120.291 -0.564 . . . . 0.0 112.495 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.459 HD21 ' CG ' ' B' ' 18' ' ' HIS . 89.8 mt -66.09 -47.1 75.33 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 119.674 -0.811 . . . . 0.0 112.164 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.542 HD21 ' OH ' ' B' ' 74' ' ' TYR . 50.8 mt -71.16 -44.56 65.25 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.326 -0.949 . . . . 0.0 111.158 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -62.84 -42.11 99.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.514 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.2 t -83.0 -45.24 14.31 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.712 -178.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' B' ' 39' ' ' THR . 95.4 mt-10 -71.74 -35.79 70.24 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 119.594 -0.843 . . . . 0.0 111.852 -177.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.477 HD12 ' CD1' ' B' ' 45' ' ' LEU . 61.9 mt -123.15 51.37 1.46 Allowed 'General case' 0 C--O 1.235 0.324 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.436 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -57.83 -25.25 60.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.207 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.59 -69.59 1.35 Allowed Glycine 0 CA--C 1.531 1.065 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.738 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -58.5 -43.67 89.18 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.619 ' O ' ' N ' ' B' ' 47' ' ' ALA . 40.3 mt -93.19 -0.4 56.89 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.561 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 53.8 p30 -19.81 81.19 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 122.095 0.95 . . . . 0.0 112.211 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.619 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -64.13 -18.0 64.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.412 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.29 -34.67 61.42 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.503 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -58.79 -36.97 75.32 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.55 ' CG ' ' H ' ' B' ' 53' ' ' ALA . 63.7 t0 -142.53 96.82 3.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.053 -1.43 . . . . 0.0 111.128 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.402 ' O ' HG22 ' B' ' 54' ' ' VAL . 78.0 t -61.27 -40.53 86.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -60.53 -29.83 69.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.579 -1.191 . . . . 0.0 112.265 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.55 ' H ' ' CG ' ' B' ' 50' ' ' ASP . . . -52.67 -34.11 50.34 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.58 -176.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.722 HG11 ' HD3' ' B' ' 34' ' ' LYS . 4.2 m -59.96 -42.84 90.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.492 ' N ' HG23 ' B' ' 54' ' ' VAL . 56.0 t0 -64.24 -39.58 94.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.506 0.67 . . . . 0.0 110.354 177.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -60.13 -42.6 95.16 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.306 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 20.9 m -76.56 -36.36 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 C-N-CA 119.371 -0.931 . . . . 0.0 111.592 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.531 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.1 ppp? -62.2 -35.34 78.56 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.433 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -57.56 -40.91 79.97 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.916 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.89 -36.97 86.06 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.206 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.489 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 81.6 mt -66.4 -36.95 84.14 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.379 0.609 . . . . 0.0 110.49 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.525 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 99.6 m-20 -99.26 34.96 2.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.963 -178.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -51.08 -30.32 15.61 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-O 121.422 0.63 . . . . 0.0 109.592 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.5 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 14.8 m120 -52.81 -34.19 52.57 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.559 -178.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.86 2.38 62.82 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 109.117 -1.593 . . . . 0.0 109.117 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.689 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.7 p30 -61.77 -35.73 78.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.04 -0.58 . . . . 0.0 112.011 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.689 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 92.78 -6.94 77.22 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.525 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 42.3 tp10 -119.34 148.49 43.13 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.593 ' O ' ' O ' ' B' ' 28' ' ' LEU . 43.4 t -110.32 133.96 54.04 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-O 121.325 0.583 . . . . 0.0 111.638 -178.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.578 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 87.2 m-20 -95.79 147.47 23.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.876 178.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.55 ' CE2' ' CG1' ' B' ' 75' ' ' VAL . 87.6 t80 -53.53 -38.09 63.44 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.515 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG22 ' B' ' 75' ' ' VAL . 63.2 tt0 -55.37 -40.63 71.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.482 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.5 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.0 mt-10 -67.11 -38.54 85.82 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.325 0.583 . . . . 0.0 109.991 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.838 ' O ' HG23 ' B' ' 78' ' ' VAL . 87.0 t80 -61.44 -43.62 98.54 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.672 ' HB ' ' HB1' ' A' ' 79' ' ' ALA . 35.2 m -67.34 -35.53 73.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -178.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.44 -46.56 96.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.275 -0.97 . . . . 0.0 110.248 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.42 ' HB2' HD21 ' B' ' 61' ' ' LEU . 31.4 tp -66.18 -38.87 89.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.979 178.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.838 HG23 ' O ' ' B' ' 74' ' ' TYR . 73.0 t -60.99 -41.21 88.23 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 C-N-CA 120.615 -0.434 . . . . 0.0 112.051 -178.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.667 ' HB1' ' HB ' ' A' ' 75' ' ' VAL . . . -62.11 -40.73 96.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.997 -178.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.03 -42.5 66.26 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.675 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.48 ' O ' HD13 ' B' ' 81' ' ' LEU . 0.1 OUTLIER -65.3 -41.9 93.62 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.843 -177.246 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.699 HG22 ' O ' ' B' ' 78' ' ' VAL . 1.2 t -58.78 -41.1 85.87 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.216 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.23 -41.95 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.505 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.34 71.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.54 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.566 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.7 OUTLIER -54.64 -35.89 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.669 -179.168 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.451 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 86.3 m-20 -56.7 -35.34 68.39 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.997 0.427 . . . . 0.0 110.299 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 . . . . . 0 CA--C 1.517 -0.295 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.689 0.28 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.86 -36.08 80.17 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.999 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.507 HD22 ' OE1' ' B' ' 40' ' ' GLU . 34.9 tp -59.18 -40.3 85.24 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.827 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.36 -38.62 87.64 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.3 m -65.03 -41.03 95.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.574 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.03 -50.09 65.41 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 ppp? -57.36 -42.39 81.95 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.179 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -64.81 -37.22 86.87 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.573 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.1 m -60.54 -41.68 94.97 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.734 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 14' ' ' VAL . 83.7 mt -57.17 -44.31 83.41 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 122.034 0.921 . . . . 0.0 109.547 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.451 HD13 HD21 ' B' ' 86' ' ' ASN . 76.7 mt -66.44 -39.26 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.529 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -59.73 -40.91 89.63 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.339 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 11' ' ' LEU . 34.9 m -74.42 -36.24 41.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.068 0 C-N-CA 119.944 -0.703 . . . . 0.0 109.783 178.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.694 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 91.4 t80 -58.79 -50.07 75.33 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.28 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.47 -45.29 94.89 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.87 -53.2 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -177.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.551 ' CB ' HD21 ' A' ' 36' ' ' LEU . 98.1 m-70 -68.34 -46.51 69.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 94.0 p -61.86 -32.03 72.35 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.325 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.78 -31.31 77.69 Favored Glycine 0 CA--C 1.522 0.509 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.071 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.417 ' NZ ' ' HA ' ' A' ' 18' ' ' HIS . 63.9 mttp -57.16 -38.54 73.72 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -177.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 78.0 mm-40 -135.92 147.95 48.33 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.829 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.33 -137.17 49.79 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.091 -0.958 . . . . 0.0 112.997 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -81.09 132.13 35.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.65 -0.775 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' O ' ' OG ' ' A' ' 19' ' ' SER . 63.8 mttp -56.25 -32.29 64.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.377 -178.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 76.6 m-85 -103.02 11.65 37.02 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -176.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.609 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 6.8 tptt -134.11 137.74 44.77 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.473 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.9 mt -95.36 139.61 31.41 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.43 0.633 . . . . 0.0 110.797 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -103.15 159.35 15.61 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -52.07 -38.86 58.54 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.673 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -61.57 -50.38 72.86 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.119 -0.633 . . . . 0.0 112.022 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.524 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.9 mt-10 -63.18 -41.11 99.16 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.202 -176.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.16 -41.34 99.24 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.629 -1.169 . . . . 0.0 109.363 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.606 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 2.2 tptp -60.21 -46.08 90.98 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.053 178.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 39' ' ' THR . 77.8 mm-40 -68.07 -38.51 82.48 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.962 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.551 HD21 ' CB ' ' A' ' 18' ' ' HIS . 92.8 mt -65.51 -47.16 76.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 119.464 -0.894 . . . . 0.0 112.582 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.598 HD11 ' CE1' ' A' ' 74' ' ' TYR . 7.9 mp -71.14 -43.84 66.75 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.161 -1.016 . . . . 0.0 111.55 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.606 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.9 tt0 -62.87 -41.66 99.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.6 t -83.45 -45.92 13.08 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.742 -178.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.537 ' C ' HD12 ' A' ' 41' ' ' LEU . 95.8 mt-10 -72.43 -34.09 67.55 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 119.953 -0.699 . . . . 0.0 111.843 -178.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 41' ' ' LEU . 6.9 mp -118.23 37.25 4.06 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.0 t -53.38 -35.52 60.43 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.34 -178.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.66 -57.31 5.5 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.648 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -64.52 -46.59 82.28 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 46' ' ' ASP . 7.1 mp -91.78 -0.48 57.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' A' ' 45' ' ' LEU . 55.9 t0 -24.21 130.92 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.752 0.787 . . . . 0.0 111.878 -177.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.541 ' O ' HG22 ' A' ' 51' ' ' VAL . . . -65.99 -17.54 64.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.341 -1.299 . . . . 0.0 111.884 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -54.47 -34.3 61.27 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.787 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -120.47 143.26 48.61 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 56.52 50.42 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.35 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 47' ' ' ALA . 49.2 t -51.69 -39.59 24.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.633 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -77.25 7.11 5.54 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.473 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.57 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.43 -33.66 69.93 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.612 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.6 t -59.98 -46.02 94.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.341 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.54 -43.89 97.68 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.41 0.624 . . . . 0.0 110.597 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HZ3' ' HA ' ' A' ' 53' ' ' ALA . 16.2 mtmm -62.78 -40.3 96.88 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.404 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 53' ' ' ALA . 73.1 t -66.33 -46.66 86.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.079 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.517 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.6 ppp? -67.67 -36.81 81.39 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.667 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -59.24 -43.15 92.4 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.566 -0.454 . . . . 0.0 112.035 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.65 -38.39 89.21 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.756 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.498 ' HB3' HG13 ' A' ' 69' ' ' VAL . 96.1 mt -67.6 -35.9 79.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.756 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.528 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 97.7 m-20 -95.41 34.74 1.4 Allowed 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -51.05 -30.4 15.51 Favored 'General case' 0 CA--C 1.5 -0.973 0 CA-C-O 121.51 0.671 . . . . 0.0 109.204 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.529 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 12.9 m120 -53.03 -33.73 53.17 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.38 -178.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.97 2.57 60.94 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.699 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.5 p30 -61.62 -35.7 78.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.955 -0.623 . . . . 0.0 111.757 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.699 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.27 -13.25 67.69 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.528 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 83.7 tt0 -122.05 151.21 41.1 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 61' ' ' LEU . 61.4 t -101.55 132.39 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -177.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.609 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 84.7 m-20 -82.7 144.29 30.33 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.287 177.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.694 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 84.3 t80 -55.35 -41.36 72.42 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.763 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.43 -41.63 85.47 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.555 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.529 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.2 mt-10 -66.42 -39.95 89.24 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.978 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.598 ' CE1' HD11 ' A' ' 37' ' ' LEU . 56.2 t80 -64.5 -42.12 96.02 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 1.033 HG12 ' HB1' ' B' ' 79' ' ' ALA . 89.9 t -60.43 -40.22 83.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.249 -178.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.0 t -64.14 -45.85 95.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.577 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.475 ' HB2' HD21 ' A' ' 61' ' ' LEU . 32.3 tp -66.86 -41.14 87.8 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.9 p -58.79 -33.59 49.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.068 -178.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 1.039 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -59.81 -40.0 86.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.03 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.76 77.05 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.792 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.53 -39.28 94.01 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 112.629 0.604 . . . . 0.0 112.629 -178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -62.3 -42.62 99.51 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 119.12 -1.032 . . . . 0.0 110.181 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.1 t -63.82 -41.8 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.149 0.499 . . . . 0.0 109.881 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.25 73.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.055 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 74.4 m -54.75 -39.97 68.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.852 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.445 HD21 HD13 ' B' ' 12' ' ' ILE . 22.8 m120 -59.53 -36.26 75.77 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.729 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 . . . . . 0 C--N 1.33 -0.252 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.369 -179.32 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.731 0.3 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.99 -36.01 80.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.919 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.504 HD22 ' OE1' ' A' ' 40' ' ' GLU . 35.1 tp -59.18 -40.28 85.17 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.86 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.35 -38.65 87.71 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.308 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.1 m -64.97 -41.01 95.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.592 178.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.03 -50.11 65.34 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' B' ' 9' ' ' GLU . 1.3 ppp? -57.28 -42.46 81.7 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.221 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.4 ' N ' ' SD ' ' B' ' 8' ' ' MET . 83.9 tt0 -64.86 -37.13 86.58 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.563 178.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.8 m -60.62 -41.62 95.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.762 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.447 ' O ' HG22 ' B' ' 14' ' ' VAL . 83.6 mt -57.11 -44.39 83.19 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 122.035 0.922 . . . . 0.0 109.557 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.445 HD13 HD21 ' A' ' 86' ' ' ASN . 76.5 mt -66.42 -39.27 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.483 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -59.8 -40.8 89.58 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.392 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.447 HG22 ' O ' ' B' ' 11' ' ' LEU . 35.0 m -74.49 -36.3 41.26 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.057 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.707 178.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.692 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 91.5 t80 -58.83 -50.0 75.61 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.225 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.54 -45.29 94.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.84 -53.15 23.05 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.554 ' CB ' HD21 ' B' ' 36' ' ' LEU . 98.1 m-70 -68.37 -46.53 69.82 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 94.5 p -61.89 -31.97 72.31 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.348 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.86 -31.14 77.27 Favored Glycine 0 CA--C 1.523 0.59 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.075 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' B' ' 18' ' ' HIS . 64.0 mttp -57.29 -38.52 74.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.508 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 78.0 mm-40 -135.91 147.97 48.36 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.835 0.679 . . . . 0.0 112.835 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.28 -137.21 49.69 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 115.033 -0.985 . . . . 0.0 113.008 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -81.11 132.1 35.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 114.604 -0.798 . . . . 0.0 110.84 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.45 ' O ' ' OG ' ' B' ' 19' ' ' SER . 63.8 mttp -56.21 -32.28 64.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.377 -178.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 76.9 m-85 -103.08 11.67 36.89 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -176.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.581 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 6.8 tptt -134.17 137.78 44.69 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.403 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 85.1 mt -95.37 139.57 31.47 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.419 0.628 . . . . 0.0 110.779 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.2 m -103.12 159.3 15.65 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -52.03 -38.78 58.14 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 118.767 -1.173 . . . . 0.0 108.783 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -61.66 -50.27 73.17 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.075 -0.65 . . . . 0.0 112.064 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.508 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.9 mt-10 -63.13 -41.17 99.26 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.19 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.11 -41.45 99.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.344 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.608 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 2.2 tptp -60.21 -46.06 91.04 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.974 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.451 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -68.19 -38.44 81.98 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.898 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.554 HD21 ' CB ' ' B' ' 18' ' ' HIS . 92.9 mt -65.52 -47.18 76.84 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 119.467 -0.893 . . . . 0.0 112.591 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.595 HD11 ' CE1' ' B' ' 74' ' ' TYR . 7.9 mp -71.08 -43.9 66.8 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.226 -0.99 . . . . 0.0 111.516 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.608 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.0 tt0 -62.9 -41.64 99.5 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.6 t -83.45 -45.99 13.02 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.041 -0.664 . . . . 0.0 112.677 -178.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.532 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.8 mt-10 -72.46 -34.0 67.44 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.841 -178.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.555 ' N ' HD12 ' B' ' 41' ' ' LEU . 6.9 mp -118.16 37.05 4.12 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.0 t -53.27 -35.54 60.16 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.351 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.72 -57.25 5.49 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.675 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -64.44 -46.56 82.64 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -178.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' B' ' 46' ' ' ASP . 7.1 mp -91.9 -0.44 57.5 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' B' ' 45' ' ' LEU . 55.8 t0 -24.22 130.86 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.735 0.778 . . . . 0.0 111.954 -177.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.534 ' O ' HG22 ' B' ' 51' ' ' VAL . . . -65.91 -17.57 64.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.869 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -54.48 -34.29 61.3 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.751 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -120.43 143.22 48.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 56.53 50.53 12.75 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.285 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.534 HG22 ' O ' ' B' ' 47' ' ' ALA . 48.9 t -51.8 -39.48 24.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.691 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -77.19 7.04 5.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.504 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.566 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -58.35 -33.69 69.83 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.596 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.04 -46.05 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.282 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.54 -43.85 97.79 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.64 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.416 ' HZ3' ' HA ' ' B' ' 53' ' ' ALA . 16.2 mtmm -62.73 -40.42 97.13 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.365 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 53' ' ' ALA . 72.5 t -66.31 -46.58 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.187 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.512 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.6 ppp? -67.72 -36.83 81.32 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.666 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -59.13 -43.28 91.98 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.535 -0.466 . . . . 0.0 112.095 -178.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.48 -38.43 89.75 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.789 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.507 ' HB3' HG13 ' B' ' 69' ' ' VAL . 96.0 mt -67.59 -35.95 79.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.736 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.527 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 97.7 m-20 -95.43 34.73 1.41 Allowed 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.95 -30.54 15.16 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.531 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 12.6 m120 -52.96 -33.63 52.08 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.489 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.95 2.48 61.01 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 108.849 -1.7 . . . . 0.0 108.849 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.688 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.4 p30 -61.61 -35.74 78.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.99 -0.605 . . . . 0.0 111.801 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.688 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.4 -13.26 67.63 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.527 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 83.7 tt0 -122.07 151.17 41.16 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.507 HG13 ' HB3' ' B' ' 61' ' ' LEU . 61.2 t -101.6 132.37 47.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -177.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.581 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 84.8 m-20 -82.67 144.28 30.37 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.236 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.692 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 84.2 t80 -55.42 -41.31 72.6 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.757 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.41 -41.67 85.47 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.46 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.531 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.2 mt-10 -66.53 -39.89 88.85 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.916 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.595 ' CE1' HD11 ' B' ' 37' ' ' LEU . 56.4 t80 -64.44 -42.19 96.14 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 1.039 HG12 ' HB1' ' A' ' 79' ' ' ALA . 90.2 t -60.47 -40.17 83.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.211 -178.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 63.8 t -64.17 -45.74 95.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.609 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.49 ' HB2' HD21 ' B' ' 61' ' ' LEU . 32.4 tp -67.04 -41.06 87.16 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -178.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.476 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.9 p -58.78 -33.53 49.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.109 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 1.033 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -59.77 -40.07 87.01 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.012 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.42 -40.78 77.07 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.778 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.444 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 69.1 mt -63.54 -39.22 93.84 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -178.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -62.3 -42.68 99.56 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.21 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 94.9 t -63.87 -41.7 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.115 0.483 . . . . 0.0 109.892 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.29 73.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.04 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 74.7 m -54.81 -39.98 69.05 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.84 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.451 HD21 HD13 ' A' ' 12' ' ' ILE . 22.7 m120 -59.37 -36.39 75.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.721 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 CA--C 1.516 -0.337 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.469 -179.358 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.533 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 58.8 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.678 0.275 . . . . 0.0 110.647 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -63.19 -35.96 82.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.062 0.458 . . . . 0.0 110.36 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.528 HD23 ' C ' ' A' ' 4' ' ' LEU . 8.5 tt -60.08 -42.74 95.26 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.344 -177.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.51 -40.16 93.62 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 119.809 -0.756 . . . . 0.0 109.122 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.3 m -63.97 -38.11 89.89 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.338 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.24 96.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.315 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mtm -57.49 -41.26 80.37 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 117.851 -1.539 . . . . 0.0 108.857 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.585 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 98.4 mt-10 -68.47 -36.92 79.66 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.639 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.9 m -62.54 -44.24 96.84 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.401 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.403 ' O ' ' CD2' ' A' ' 15' ' ' PHE . 84.4 mt -59.9 -46.79 88.23 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.81 0.815 . . . . 0.0 110.391 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.438 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 81.0 mt -64.32 -39.73 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.308 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 2.4 m120 -60.62 -40.49 92.08 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.361 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 15' ' ' PHE . 26.9 m -76.53 -47.41 29.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 119.407 -0.917 . . . . 0.0 112.481 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.433 ' N ' HG23 ' A' ' 14' ' ' VAL . 59.3 m-85 -66.32 -42.41 88.28 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 119.735 -0.786 . . . . 0.0 110.6 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 85.7 t60 -61.29 -45.29 95.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.748 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.52 -52.0 36.84 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.617 ' HB2' HD11 ' A' ' 36' ' ' LEU . 83.5 m-70 -62.47 -42.97 99.86 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.503 ' O ' ' O ' ' A' ' 22' ' ' GLU . 85.1 p -61.6 -30.99 71.04 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.02 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.36 -33.25 80.04 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -57.9 -38.55 76.02 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.207 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.503 ' O ' ' O ' ' A' ' 19' ' ' SER . 77.3 mm-40 -131.66 148.42 52.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.933 0.397 . . . . 0.0 111.174 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.98 -162.6 2.39 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -71.59 143.86 49.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.848 0.356 . . . . 0.0 111.006 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -58.94 -39.94 83.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.766 0.794 . . . . 0.0 110.803 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.578 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.0 m-30 -72.18 -23.93 61.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.187 -1.369 . . . . 0.0 112.803 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -113.31 142.21 46.11 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 28' ' ' LEU . 83.7 mt -104.15 133.58 48.84 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 113.515 -1.675 . . . . 0.0 106.962 173.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.2 m -100.9 164.16 11.96 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.554 ' CE ' ' OD1' ' A' ' 55' ' ' ASP . 63.5 tttm -52.23 -42.57 63.7 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 118.713 -1.195 . . . . 0.0 110.09 -177.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.94 -49.39 76.34 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.864 -0.734 . . . . 0.0 112.003 177.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.499 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.8 mt-10 -62.45 -39.59 93.86 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.569 -175.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.426 HD21 HD12 ' A' ' 37' ' ' LEU . 9.3 tt -62.61 -40.49 97.13 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 114.475 -1.238 . . . . 0.0 109.308 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.601 ' HD3' HG21 ' A' ' 54' ' ' VAL . 7.4 tptp -60.61 -48.32 82.29 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.665 177.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.438 ' O ' HG22 ' A' ' 39' ' ' THR . 77.6 mm-40 -68.25 -37.04 80.36 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.884 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' A' ' 18' ' ' HIS . 1.5 mm? -67.65 -50.66 56.76 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.016 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.538 HD21 ' OH ' ' A' ' 74' ' ' TYR . 47.0 mt -69.41 -40.1 77.51 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 119.663 -0.815 . . . . 0.0 111.099 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' ' 34' ' ' LYS . 51.9 tt0 -63.13 -42.08 99.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.221 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 3.2 t -83.87 -44.54 14.18 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.155 -0.618 . . . . 0.0 112.426 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.579 ' C ' HD12 ' A' ' 41' ' ' LEU . 78.0 mm-40 -70.93 -34.78 71.84 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.284 -178.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.579 HD12 ' C ' ' A' ' 40' ' ' GLU . 7.0 mp -123.49 48.42 1.85 Allowed 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.291 179.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -57.14 -25.11 58.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.776 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.96 -68.72 1.29 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.461 ' CE1' ' HA ' ' A' ' 85' ' ' CYS . 75.0 t80 -57.94 -45.44 86.6 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -177.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 46' ' ' ASP . 71.9 mt -93.39 -0.72 56.44 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.534 ' C ' ' O ' ' A' ' 45' ' ' LEU . 58.4 t0 -25.94 118.02 0.07 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.358 0.599 . . . . 0.0 111.23 -178.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.39 -22.41 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.738 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -55.52 -35.28 65.46 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.488 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -59.38 -41.6 89.74 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.741 ' HB3' ' HB2' ' A' ' 53' ' ' ALA . 60.6 t0 -147.39 119.68 8.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.235 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.27 -40.49 89.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 48.9 p30 -89.77 9.11 28.55 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.741 ' HB2' ' HB3' ' A' ' 50' ' ' ASP . . . -60.7 -33.34 72.73 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.82 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.601 HG21 ' HD3' ' A' ' 34' ' ' LYS . 77.1 t -60.24 -44.78 96.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -177.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.554 ' OD1' ' CE ' ' A' ' 30' ' ' LYS . 83.8 m-20 -60.69 -43.43 97.74 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.755 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -63.05 -38.35 90.83 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.477 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 53' ' ' ALA . 60.0 t -64.01 -48.25 86.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.174 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.711 ' HA ' HD23 ' A' ' 61' ' ' LEU . 2.9 ppp? -74.58 -38.3 62.69 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-O 122.315 1.055 . . . . 0.0 113.308 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' N ' ' CG ' ' A' ' 58' ' ' MET . 54.6 tptt -63.0 -42.78 99.94 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 114.745 -1.116 . . . . 0.0 113.823 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.16 -32.44 72.71 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.026 HD11 HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -68.15 -39.34 82.65 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 110.604 -2.998 . . . . 0.0 111.424 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.481 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 52.6 t0 -82.61 92.25 7.1 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 118.93 -1.108 . . . . 0.0 110.92 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -67.41 -39.14 85.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.102 0.477 . . . . 0.0 112.121 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.486 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 23.4 m120 -59.02 -37.16 76.29 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.564 -0.743 . . . . 0.0 112.394 -177.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.37 4.99 80.05 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 107.665 -2.174 . . . . 0.0 107.665 -177.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.2 p30 -62.41 -32.44 73.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 113.773 -1.214 . . . . 0.0 112.594 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.662 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.94 -10.3 62.08 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.513 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 84.3 tt0 -112.25 140.85 46.62 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.026 HG13 HD11 ' A' ' 61' ' ' LEU . 69.4 t -102.66 131.28 51.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.688 0.756 . . . . 0.0 112.563 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -90.08 145.47 25.04 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.332 -1.304 . . . . 0.0 107.968 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.535 ' O ' HG13 ' A' ' 75' ' ' VAL . 72.6 t80 -54.43 -39.44 67.36 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.728 -0.789 . . . . 0.0 109.64 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.42 -39.7 88.36 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.289 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.486 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.5 mt-10 -68.4 -41.15 80.89 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.005 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.538 ' OH ' HD21 ' A' ' 37' ' ' LEU . 62.1 t80 -64.79 -43.34 93.54 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 71' ' ' PHE . 20.3 m -65.64 -35.9 76.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.863 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.457 HG13 HG13 ' B' ' 76' ' ' VAL . 68.3 t -61.64 -45.24 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.184 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.429 HD22 ' HB2' ' A' ' 61' ' ' LEU . 33.7 tp -65.19 -39.77 93.3 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.647 179.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.456 HG21 ' CE2' ' A' ' 74' ' ' TYR . 49.7 t -62.16 -38.17 80.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.412 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -56.01 -39.46 71.94 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.105 -177.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.1 -42.9 75.51 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.407 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.39 -38.02 89.58 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.557 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -60.09 -38.01 81.64 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 119.571 -0.852 . . . . 0.0 110.052 -179.445 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.03 -42.95 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -34.54 78.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.443 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.557 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -59.54 -33.15 71.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.286 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -54.87 -36.99 65.69 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.867 0.365 . . . . 0.0 110.806 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.917 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.517 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 58.4 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.633 0.254 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -63.19 -35.94 81.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.042 0.449 . . . . 0.0 110.375 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.522 ' C ' HD23 ' B' ' 4' ' ' LEU . 8.5 tt -60.09 -42.76 95.32 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.398 -177.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.55 -40.1 93.47 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.163 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.0 m -64.01 -38.09 89.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.348 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.24 96.14 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.242 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mtm -57.51 -41.2 80.33 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 117.866 -1.534 . . . . 0.0 108.845 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.588 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 98.4 mt-10 -68.5 -36.93 79.6 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.659 178.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.3 m -62.56 -44.26 96.78 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.394 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -59.84 -46.78 88.19 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.734 0.778 . . . . 0.0 110.434 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' B' ' 16' ' ' HIS . 80.7 mt -64.36 -39.68 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.379 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.588 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 2.3 m120 -60.67 -40.44 92.09 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.364 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.431 HG23 ' N ' ' B' ' 15' ' ' PHE . 26.8 m -76.63 -47.31 29.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 119.367 -0.933 . . . . 0.0 112.454 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.431 ' N ' HG23 ' B' ' 14' ' ' VAL . 58.8 m-85 -66.37 -42.31 88.17 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.625 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.44 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 85.7 t60 -61.36 -45.29 95.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.705 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.65 -51.89 37.14 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.634 ' HB2' HD11 ' B' ' 36' ' ' LEU . 83.3 m-70 -62.44 -42.94 99.82 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.509 ' O ' ' O ' ' B' ' 22' ' ' GLU . 85.3 p -61.62 -30.96 71.04 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.012 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.44 -33.19 80.22 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.382 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -57.79 -38.59 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.168 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.509 ' O ' ' O ' ' B' ' 19' ' ' SER . 77.2 mm-40 -131.77 148.47 52.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.943 0.401 . . . . 0.0 111.127 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.8 -162.52 2.31 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -71.58 143.8 49.73 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.474 -0.363 . . . . 0.0 111.057 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -58.79 -40.02 82.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.763 0.792 . . . . 0.0 110.784 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.0 m-30 -72.22 -23.87 61.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.257 -1.338 . . . . 0.0 112.779 -175.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -113.35 142.25 46.09 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 28' ' ' LEU . 84.1 mt -104.11 133.56 48.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 113.617 -1.629 . . . . 0.0 106.992 173.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 41.1 m -100.96 164.1 11.98 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.56 ' CE ' ' OD1' ' B' ' 55' ' ' ASP . 63.4 tttm -52.18 -42.61 63.59 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 118.728 -1.189 . . . . 0.0 110.07 -177.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.94 -49.37 76.42 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.987 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.506 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.8 mt-10 -62.48 -39.55 93.82 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.613 -175.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.437 HD21 HD12 ' B' ' 37' ' ' LEU . 9.3 tt -62.56 -40.54 97.17 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.334 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.581 ' HD3' HG21 ' B' ' 54' ' ' VAL . 7.4 tptp -60.56 -48.41 81.89 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.66 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.435 ' O ' HG22 ' B' ' 39' ' ' THR . 77.7 mm-40 -68.17 -37.05 80.55 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.114 -0.635 . . . . 0.0 111.911 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.634 HD11 ' HB2' ' B' ' 18' ' ' HIS . 1.5 mm? -67.65 -50.71 56.54 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.988 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.54 HD21 ' OH ' ' B' ' 74' ' ' TYR . 47.4 mt -69.37 -40.15 77.63 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.127 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.411 ' CB ' ' O ' ' B' ' 34' ' ' LYS . 51.9 tt0 -63.1 -42.01 99.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.189 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.482 HG23 ' N ' ' B' ' 40' ' ' GLU . 3.2 t -83.91 -44.61 14.07 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.146 -0.621 . . . . 0.0 112.415 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.575 ' C ' HD12 ' B' ' 41' ' ' LEU . 78.0 mm-40 -70.9 -34.75 71.88 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.319 -178.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.575 HD12 ' C ' ' B' ' 40' ' ' GLU . 6.9 mp -123.51 48.32 1.87 Allowed 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.354 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -56.98 -25.21 57.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.837 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.97 -68.66 1.29 Allowed Glycine 0 CA--C 1.531 1.088 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.456 ' CE1' ' HA ' ' B' ' 85' ' ' CYS . 75.1 t80 -57.98 -45.41 86.81 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.53 ' O ' ' C ' ' B' ' 46' ' ' ASP . 71.8 mt -93.29 -0.89 56.57 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.53 ' C ' ' O ' ' B' ' 45' ' ' LEU . 58.3 t0 -25.8 118.03 0.07 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.354 0.597 . . . . 0.0 111.287 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.43 -22.41 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.795 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -55.52 -35.33 65.51 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.582 -178.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -59.27 -41.71 89.5 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.73 ' HB3' ' HB2' ' B' ' 53' ' ' ALA . 60.6 t0 -147.29 119.64 8.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.257 178.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.22 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' B' ' 52' ' ' ASP . 48.9 p30 -89.78 9.05 28.79 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -178.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.73 ' HB2' ' HB3' ' B' ' 50' ' ' ASP . . . -60.65 -33.43 72.8 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.827 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.581 HG21 ' HD3' ' B' ' 34' ' ' LYS . 77.6 t -60.13 -44.85 96.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.56 ' OD1' ' CE ' ' B' ' 30' ' ' LYS . 83.8 m-20 -60.65 -43.35 97.71 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.816 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -63.13 -38.4 91.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.406 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 53' ' ' ALA . 59.1 t -63.99 -48.24 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.217 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.705 ' HA ' HD23 ' B' ' 61' ' ' LEU . 2.9 ppp? -74.55 -38.37 62.74 Favored 'General case' 0 C--O 1.206 -1.211 0 CA-C-O 122.236 1.017 . . . . 0.0 113.259 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.422 ' N ' ' CG ' ' B' ' 58' ' ' MET . 54.7 tptt -62.95 -42.78 99.92 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.767 -1.106 . . . . 0.0 113.803 -176.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.13 -32.43 72.7 Favored 'General case' 0 CA--C 1.489 -1.374 0 CA-C-O 123.652 1.691 . . . . 0.0 106.496 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 1.014 HD11 HG13 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -68.19 -39.32 82.53 Favored 'General case' 0 N--CA 1.422 -1.827 0 CA-C-N 110.556 -3.02 . . . . 0.0 111.436 179.758 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.492 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 52.6 t0 -82.61 92.31 7.11 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 118.982 -1.087 . . . . 0.0 110.921 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -67.5 -39.06 85.18 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.05 0.452 . . . . 0.0 112.11 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.495 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 23.5 m120 -59.1 -37.15 76.48 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.271 -176.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.33 5.07 80.08 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 -177.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.2 p30 -62.45 -32.55 73.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 113.723 -1.239 . . . . 0.0 112.477 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.662 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 99.01 -10.36 61.96 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -178.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.522 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 84.3 tt0 -112.23 140.9 46.55 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 1.014 HG13 HD11 ' B' ' 61' ' ' LEU . 69.6 t -102.67 131.27 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.637 0.732 . . . . 0.0 112.553 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -90.15 145.48 25.01 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 114.333 -1.303 . . . . 0.0 107.897 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.541 ' O ' HG13 ' B' ' 75' ' ' VAL . 72.6 t80 -54.42 -39.47 67.36 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 119.72 -0.792 . . . . 0.0 109.625 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.33 -39.65 87.82 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.369 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.495 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.5 mt-10 -68.51 -41.0 80.59 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.037 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.54 ' OH ' HD21 ' B' ' 37' ' ' LEU . 61.6 t80 -64.97 -43.22 93.34 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.541 HG13 ' O ' ' B' ' 71' ' ' PHE . 20.0 m -65.65 -35.93 76.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.921 -178.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.457 HG13 HG13 ' A' ' 76' ' ' VAL . 68.9 t -61.61 -45.26 99.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 119.715 -0.794 . . . . 0.0 110.204 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.443 HD22 ' HB2' ' B' ' 61' ' ' LEU . 33.6 tp -65.13 -39.89 93.69 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.603 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.451 HG21 ' CE2' ' B' ' 74' ' ' TYR . 49.9 t -62.01 -38.27 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.41 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -55.98 -39.5 71.9 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.067 -177.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.11 -42.84 75.56 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.394 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.39 -38.1 89.83 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.529 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 0.9 OUTLIER -60.16 -37.95 81.7 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.035 -179.409 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.0 -43.01 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.62 78.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.419 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -59.46 -33.14 70.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.251 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -54.84 -37.03 65.66 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 120.936 0.398 . . . . 0.0 110.792 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.705 0.288 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.04 -35.21 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.212 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.533 HD22 ' OE1' ' B' ' 40' ' ' GLU . 29.7 tp -59.14 -39.57 82.8 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.16 -179.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.28 -40.81 87.28 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 119.512 -0.875 . . . . 0.0 108.753 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.4 m -65.91 -37.7 86.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.83 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.11 -46.22 88.37 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.69 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.4 mtm -58.55 -40.48 83.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 118.844 -1.142 . . . . 0.0 109.064 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.585 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.8 mt-10 -67.17 -37.23 83.37 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.85 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.9 m -62.23 -43.72 98.18 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.08 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.29 -44.88 95.51 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.009 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.82 -43.88 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.886 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 85.7 m-20 -59.99 -39.18 84.83 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.309 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 10' ' ' THR . 76.0 t -65.44 -42.88 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -59.94 -49.1 79.02 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.177 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.26 -39.87 94.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.457 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.7 98.55 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.694 ' HB2' HD21 ' A' ' 36' ' ' LEU . 94.7 m-70 -100.86 -33.1 10.36 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -177.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.484 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 86.4 p -60.74 -29.35 69.33 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.971 -178.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.4 -27.51 63.36 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 115.476 -0.784 . . . . 0.0 114.537 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 22' ' ' GLU . 16.6 ptpt -56.76 -43.59 80.91 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.416 1.108 . . . . 0.0 112.343 -176.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 76.8 mm-40 -135.54 143.28 45.63 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.356 0.598 . . . . 0.0 111.717 178.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.86 -167.52 54.86 Favored Glycine 0 CA--C 1.518 0.268 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -72.8 143.49 47.87 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.8 -38.68 82.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.272 1.034 . . . . 0.0 108.792 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 68.9 m-85 -71.56 -21.14 61.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.017 -1.901 . . . . 0.0 113.129 -178.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HZ1' ' CD ' ' A' ' 68' ' ' GLU . 23.1 tptm -112.27 140.54 46.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 109.944 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.612 HD23 ' N ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -96.76 132.58 42.32 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.635 -177.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.612 ' N ' HD23 ' A' ' 28' ' ' LEU . 49.0 m -102.72 152.83 20.76 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.437 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 76.6 tttt -56.39 -42.12 77.41 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.175 -178.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -59.83 -49.11 78.98 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.828 0.823 . . . . 0.0 110.718 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.552 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.6 mt-10 -61.69 -37.62 84.82 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.392 -177.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.435 HD21 ' CD1' ' A' ' 61' ' ' LEU . 62.8 tp -63.29 -43.18 98.62 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.988 178.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.559 ' HZ1' HE22 ' A' ' 38' ' ' GLN . 6.9 tptp -59.94 -42.2 93.5 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.613 177.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.416 ' O ' HG22 ' A' ' 39' ' ' THR . 78.4 mm-40 -69.42 -39.14 78.07 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.416 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 18' ' ' HIS . 89.1 mt -66.42 -48.87 68.65 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 119.213 -0.995 . . . . 0.0 112.189 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.0 mt -68.8 -42.33 77.45 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.309 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.559 HE22 ' HZ1' ' A' ' 34' ' ' LYS . 51.5 tt0 -63.67 -42.35 98.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.489 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.1 t -85.18 -46.28 11.23 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.584 -0.846 . . . . 0.0 112.335 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.559 ' C ' HD12 ' A' ' 41' ' ' LEU . 96.0 mt-10 -73.29 -33.77 65.38 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.231 -0.587 . . . . 0.0 112.039 -178.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.563 HD23 HD13 ' A' ' 45' ' ' LEU . 6.9 mp -121.4 41.35 3.36 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.053 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -54.25 -32.16 55.33 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.157 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.75 -64.86 1.59 Allowed Glycine 0 CA--C 1.533 1.158 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.549 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -57.86 -44.45 86.59 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.563 HD13 HD23 ' A' ' 41' ' ' LEU . 8.4 mp -94.87 -0.93 53.61 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.539 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.0 t0 -22.77 100.42 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.73 0.776 . . . . 0.0 111.485 -177.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' ASP . . . -64.16 -21.8 66.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 114.23 -1.35 . . . . 0.0 111.928 -179.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.99 -35.34 64.24 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.536 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.502 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 75.1 mmtt -59.81 -37.85 80.31 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.502 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.6 m-20 -141.03 101.29 4.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.332 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.35 -40.85 89.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -84.17 -1.09 54.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HB2' ' CB ' ' A' ' 50' ' ' ASP . . . -61.03 -30.13 70.13 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.894 -178.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.411 HG21 ' HD3' ' A' ' 34' ' ' LYS . 63.9 t -57.84 -45.42 87.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.513 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.437 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 89.9 m-20 -62.59 -41.47 98.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.447 0.641 . . . . 0.0 110.365 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -59.83 -39.49 85.29 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.786 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.47 -44.14 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.015 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.5 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.0 ppp? -63.81 -38.47 91.23 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.761 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 58' ' ' MET . 95.9 mttt -59.01 -38.83 80.15 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.699 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.93 -37.05 86.34 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.786 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.486 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 96.2 mt -67.08 -37.02 83.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.753 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.63 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 51.5 t0 -76.06 85.96 2.94 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.439 -0.905 . . . . 0.0 110.53 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -66.9 -39.4 87.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.85 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 66' ' ' ASP . 43.9 p-10 -89.23 0.39 56.8 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -177.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.458 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 74.93 11.23 83.85 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.949 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.2 p30 -62.9 -33.27 74.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.733 0.301 . . . . 0.0 111.8 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 97.21 -5.01 62.84 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.531 ' CD ' ' HZ1' ' A' ' 27' ' ' LYS . 80.0 tt0 -115.47 148.42 39.47 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.49 ' O ' ' O ' ' A' ' 28' ' ' LEU . 48.4 t -106.09 133.84 49.38 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-O 121.708 0.766 . . . . 0.0 112.771 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.6 t0 -103.4 149.09 25.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.266 178.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.457 ' O ' HG13 ' A' ' 75' ' ' VAL . 65.9 t80 -52.72 -39.87 62.46 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.336 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.24 -40.66 78.04 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.009 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.486 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.3 mt-10 -67.41 -41.19 85.31 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.419 0.628 . . . . 0.0 111.068 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.417 ' HA ' HD22 ' A' ' 61' ' ' LEU . 91.2 t80 -64.77 -42.18 95.31 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -178.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 71' ' ' PHE . 32.1 m -64.12 -37.16 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -176.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 77' ' ' LEU . 33.9 m -72.69 -43.11 62.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 118.745 -1.182 . . . . 0.0 111.745 -179.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.425 HD23 HD21 ' A' ' 61' ' ' LEU . 31.6 tp -68.32 -40.92 81.49 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 p -59.23 -33.14 49.86 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.738 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.439 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -58.69 -37.49 76.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.262 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.02 -42.2 76.71 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.138 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 81' ' ' LEU . 7.1 mp -65.09 -38.71 91.62 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -179.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.1 t -58.62 -40.27 82.82 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 118.895 -1.122 . . . . 0.0 109.509 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.58 -41.25 89.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.0 74.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.017 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.2 m -55.59 -34.33 64.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -55.02 -37.56 66.79 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.044 0.45 . . . . 0.0 110.47 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 C--N 1.329 -0.286 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.685 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 56.4 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.766 0.317 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.99 -35.25 77.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.222 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.528 HD22 ' OE1' ' A' ' 40' ' ' GLU . 29.5 tp -59.1 -39.53 82.52 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.205 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.4 -40.86 87.97 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 119.463 -0.895 . . . . 0.0 108.629 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 49.1 m -65.89 -37.54 86.38 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.918 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.28 88.02 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.382 -0.827 . . . . 0.0 112.718 -177.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 58.3 mtm -58.52 -40.52 83.11 Favored 'General case' 0 CA--C 1.514 -0.434 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.03 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.587 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.9 mt-10 -67.2 -37.23 83.3 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.753 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.675 ' O ' HG23 ' B' ' 14' ' ' VAL . 43.9 m -62.2 -43.73 98.18 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.141 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.23 -44.95 95.4 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.035 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.8 -43.88 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.805 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 86.0 m-20 -60.06 -39.14 84.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.3 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 10' ' ' THR . 76.7 t -65.41 -42.86 94.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -59.96 -49.08 79.06 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 114.952 -1.022 . . . . 0.0 112.142 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.25 -39.83 94.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.5 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.71 98.67 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.696 ' HB2' HD21 ' B' ' 36' ' ' LEU . 94.5 m-70 -100.86 -33.0 10.4 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -177.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.474 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 86.4 p -60.83 -29.43 69.49 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.894 -178.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.36 -27.52 63.28 Favored Glycine 0 CA--C 1.535 1.302 0 CA-C-N 115.49 -0.777 . . . . 0.0 114.497 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' B' ' 22' ' ' GLU . 16.6 ptpt -56.72 -43.51 80.7 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 118.488 1.144 . . . . 0.0 112.422 -176.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.537 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 76.8 mm-40 -135.62 143.29 45.47 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.344 0.593 . . . . 0.0 111.718 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.81 -167.5 54.84 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -72.85 143.5 47.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.83 -38.68 82.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.263 1.03 . . . . 0.0 108.746 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 69.6 m-85 -71.61 -21.1 61.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.08 -1.873 . . . . 0.0 113.034 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.489 ' HZ1' ' CD ' ' B' ' 68' ' ' GLU . 23.1 tptm -112.24 140.6 46.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 110.037 -179.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.621 HD23 ' N ' ' B' ' 29' ' ' SER . 0.5 OUTLIER -96.73 132.58 42.27 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.643 -177.85 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.621 ' N ' HD23 ' B' ' 28' ' ' LEU . 48.9 m -102.69 152.8 20.79 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.464 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 76.6 tttt -56.36 -42.2 77.42 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.176 -178.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -59.78 -49.11 78.99 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.786 0.803 . . . . 0.0 110.723 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.537 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.6 mt-10 -61.72 -37.64 84.94 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.391 -177.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.436 HD21 ' CD1' ' B' ' 61' ' ' LEU . 62.9 tp -63.4 -43.09 98.52 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.912 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.563 ' HZ1' HE22 ' B' ' 38' ' ' GLN . 6.9 tptp -59.96 -42.26 93.71 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.522 177.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.411 ' O ' HG22 ' B' ' 39' ' ' THR . 78.4 mm-40 -69.36 -39.14 78.26 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.401 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.696 HD21 ' HB2' ' B' ' 18' ' ' HIS . 88.8 mt -66.47 -48.79 68.75 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.121 -1.032 . . . . 0.0 112.204 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.83 -42.32 77.36 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.281 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.563 HE22 ' HZ1' ' B' ' 34' ' ' LYS . 51.4 tt0 -63.66 -42.38 98.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.0 t -85.17 -46.25 11.27 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.64 -0.824 . . . . 0.0 112.371 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.547 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.9 mt-10 -73.26 -33.92 65.52 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.997 -178.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.547 HD12 ' C ' ' B' ' 40' ' ' GLU . 6.9 mp -121.33 41.36 3.35 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.042 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -54.29 -32.25 55.88 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.115 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.69 -64.86 1.59 Allowed Glycine 0 CA--C 1.534 1.22 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.552 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -57.86 -44.44 86.57 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -177.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.543 HD13 HD23 ' B' ' 41' ' ' LEU . 8.4 mp -94.78 -0.95 53.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.534 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.0 t0 -22.75 100.57 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.735 0.778 . . . . 0.0 111.417 -177.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' B' ' 50' ' ' ASP . . . -64.46 -21.68 66.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.844 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.94 -35.42 64.2 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.529 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.5 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 75.1 mmtt -59.74 -37.91 80.27 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.5 m-20 -140.98 101.3 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.365 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.42 -40.82 89.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -84.18 -1.01 54.33 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.5 ' HB2' ' CB ' ' B' ' 50' ' ' ASP . . . -61.19 -29.99 70.14 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.893 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.414 HG21 ' HD3' ' B' ' 34' ' ' LYS . 64.9 t -57.82 -45.47 87.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 119.969 -0.693 . . . . 0.0 110.594 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.464 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 90.0 m-20 -62.59 -41.45 98.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.462 0.649 . . . . 0.0 110.36 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -59.79 -39.45 84.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.854 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.1 t -67.44 -44.26 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.997 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.501 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.0 ppp? -63.76 -38.52 91.41 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.746 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' B' ' 58' ' ' MET . 95.9 mttt -58.94 -38.91 80.09 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 119.397 -0.921 . . . . 0.0 110.652 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.85 -37.08 86.44 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.274 -0.57 . . . . 0.0 109.834 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 96.3 mt -67.04 -37.09 83.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.753 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.623 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 51.5 t0 -76.1 86.04 2.97 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.608 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -66.91 -39.44 87.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.804 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' B' ' 66' ' ' ASP . 43.8 p-10 -89.31 0.43 56.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -176.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.469 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 75.05 11.14 84.14 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.887 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.643 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.3 p30 -62.81 -33.35 75.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.718 0.295 . . . . 0.0 111.733 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.643 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 97.26 -5.05 62.77 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.489 ' CD ' ' HZ1' ' B' ' 27' ' ' LYS . 80.0 tt0 -115.5 148.35 39.58 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.494 ' O ' ' O ' ' B' ' 28' ' ' LEU . 48.4 t -106.03 133.77 49.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.674 0.75 . . . . 0.0 112.805 -177.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.7 t0 -103.42 149.18 25.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.279 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.466 ' O ' HG13 ' B' ' 75' ' ' VAL . 66.0 t80 -52.63 -39.95 62.26 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.372 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.28 -40.58 78.04 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.09 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.488 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 98.3 mt-10 -67.4 -41.23 85.26 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.376 0.607 . . . . 0.0 111.08 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.411 ' HA ' HD22 ' B' ' 61' ' ' LEU . 91.1 t80 -64.69 -42.17 95.51 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -178.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.466 HG13 ' O ' ' B' ' 71' ' ' PHE . 32.3 m -64.2 -37.04 78.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -176.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.414 HG23 ' N ' ' B' ' 77' ' ' LEU . 34.0 m -72.85 -43.11 60.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 118.695 -1.202 . . . . 0.0 111.636 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.414 ' N ' HG23 ' B' ' 76' ' ' VAL . 31.5 tp -68.26 -40.99 81.73 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 p -59.15 -33.21 49.88 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.767 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.438 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -58.66 -37.47 76.05 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.332 -179.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.99 -42.29 76.69 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.168 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.476 ' N ' HD12 ' B' ' 81' ' ' LEU . 7.1 mp -64.99 -38.69 91.79 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.1 t -58.59 -40.3 82.8 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 118.862 -1.135 . . . . 0.0 109.501 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.55 -41.3 89.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.3 -32.97 74.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.972 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 70.9 m -55.58 -34.43 64.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -54.85 -37.61 66.42 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.1 0.476 . . . . 0.0 110.502 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.716 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.8 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.851 0.358 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.84 -34.51 76.1 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.452 HD22 ' OE1' ' B' ' 40' ' ' GLU . 48.9 tp -57.22 -40.0 76.62 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.362 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.18 -39.57 90.63 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 119.334 -0.947 . . . . 0.0 109.482 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.8 m -63.84 -42.37 97.61 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.14 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 11' ' ' LEU . . . -63.61 -45.27 91.06 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.457 0.646 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmm -52.14 -50.72 61.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.835 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -70.08 -36.26 74.8 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.18 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.1 m -58.83 -42.75 89.99 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 7' ' ' ALA . 83.1 mt -57.45 -47.67 81.2 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 121.9 0.857 . . . . 0.0 110.428 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.9 mt -64.3 -38.85 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.139 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -59.81 -39.98 86.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.619 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 15' ' ' PHE . 28.5 m -77.46 -47.85 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 C-N-CA 119.598 -0.841 . . . . 0.0 112.596 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.501 ' CD1' HD13 ' A' ' 36' ' ' LEU . 72.7 m-85 -67.48 -43.15 81.65 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 118.961 -1.095 . . . . 0.0 111.724 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -62.42 -44.37 96.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.831 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.5 74.8 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -177.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.757 ' CG ' HD21 ' A' ' 36' ' ' LEU . 6.1 t60 -70.13 -44.39 69.01 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 120.943 0.401 . . . . 0.0 111.692 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 85.1 p -60.79 -29.96 69.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.509 -178.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.97 -33.9 76.21 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.772 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -58.26 -40.19 81.17 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.266 -178.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.535 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.6 mt-10 -137.34 143.96 42.3 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.814 179.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.67 -165.38 52.46 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -72.31 147.93 45.88 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.036 0.446 . . . . 0.0 110.018 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' O ' ' OG ' ' A' ' 19' ' ' SER . 64.9 mttm -58.86 -32.73 69.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.668 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -105.47 13.85 29.53 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -123.7 132.83 53.92 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.538 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' O ' ' O ' ' A' ' 69' ' ' VAL . 56.2 mt -100.67 137.15 39.45 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.351 0.596 . . . . 0.0 109.994 177.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -101.29 157.5 16.74 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.599 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 58.4 tttt -51.46 -41.73 61.09 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 119.016 -1.074 . . . . 0.0 109.2 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -61.86 -50.41 72.36 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.199 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.535 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.3 mt-10 -63.53 -41.48 98.48 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.674 -176.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.57 -42.97 99.88 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.008 -0.997 . . . . 0.0 110.155 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' NZ ' ' NE2' ' A' ' 38' ' ' GLN . 11.8 tptp -61.49 -46.33 90.48 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.898 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.64 -38.06 86.12 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 119.766 -0.774 . . . . 0.0 111.951 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.757 HD21 ' CG ' ' A' ' 18' ' ' HIS . 85.8 mt -66.31 -46.39 77.1 Favored 'General case' 0 CA--C 1.519 -0.243 0 C-N-CA 119.238 -0.985 . . . . 0.0 111.931 178.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.557 HD21 ' OH ' ' A' ' 74' ' ' TYR . 78.0 mt -68.47 -43.13 77.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 119.064 -1.054 . . . . 0.0 110.907 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.485 ' NE2' ' NZ ' ' A' ' 34' ' ' LYS . 51.4 tt0 -64.43 -42.29 96.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.022 -0.99 . . . . 0.0 113.322 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.9 t -83.57 -47.03 11.73 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.776 -0.77 . . . . 0.0 112.302 -178.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.642 ' C ' HD12 ' A' ' 41' ' ' LEU . 95.7 mt-10 -73.18 -33.76 65.61 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.173 -0.611 . . . . 0.0 111.492 -178.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.642 HD12 ' C ' ' A' ' 40' ' ' GLU . 9.0 mp -122.11 51.9 1.32 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.476 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -54.83 -31.77 59.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.44 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.8 -67.92 1.41 Allowed Glycine 0 CA--C 1.532 1.095 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.295 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -57.68 -43.42 85.07 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -177.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.61 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -91.63 -3.47 56.33 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' A' ' 45' ' ' LEU . 61.2 t0 -24.66 84.62 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.496 0.665 . . . . 0.0 111.495 -177.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.61 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -65.74 -21.77 66.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.758 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.24 -35.14 64.63 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.088 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.523 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 48.0 mmtt -58.99 -37.95 78.04 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.523 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.9 m-20 -142.14 87.36 2.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.009 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.7 t -60.41 -44.34 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.304 0.573 . . . . 0.0 111.184 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.6 -33.13 71.09 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.869 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.05 -28.41 62.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.847 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.5 t -56.49 -44.72 81.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.15 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.599 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 84.4 m-20 -61.88 -41.54 98.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.485 0.659 . . . . 0.0 110.082 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -61.77 -39.4 91.51 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.361 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.0 t -66.47 -46.77 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.0 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.484 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.1 ppp? -64.94 -35.61 81.71 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.957 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 58' ' ' MET . 80.1 tttt -57.73 -41.11 81.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.014 -0.675 . . . . 0.0 109.949 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.04 -36.75 85.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.009 0.433 . . . . 0.0 110.302 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.692 HD21 HD22 ' A' ' 77' ' ' LEU . 84.4 mt -66.6 -36.29 82.24 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.56 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.544 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 50.7 t0 -75.12 85.44 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.301 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.84 -38.35 88.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.398 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.413 ' ND2' ' HB3' ' A' ' 66' ' ' ASP . 43.9 p-10 -90.02 0.57 57.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 -177.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.449 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 73.16 14.31 79.07 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.86 178.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.8 p30 -62.27 -33.11 74.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.876 0.369 . . . . 0.0 111.777 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.1 -7.46 62.42 Favored Glycine 0 CA--C 1.519 0.317 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.453 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 80.5 tt0 -115.35 146.55 41.44 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 178.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.511 ' O ' ' O ' ' A' ' 28' ' ' LEU . 48.1 t -104.32 132.81 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 111.662 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.8 t0 -97.92 145.54 26.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.589 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.515 ' O ' HG13 ' A' ' 75' ' ' VAL . 79.2 t80 -51.14 -39.45 56.31 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.43 ' O ' HG22 ' A' ' 75' ' ' VAL . 63.3 tt0 -58.02 -41.06 82.33 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.526 178.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.476 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.9 mt-10 -67.16 -40.74 86.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.524 0.678 . . . . 0.0 110.128 178.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.557 ' OH ' HD21 ' A' ' 37' ' ' LEU . 93.1 t80 -64.59 -41.37 96.29 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 71' ' ' PHE . 26.1 m -62.68 -37.62 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 119.604 -0.838 . . . . 0.0 111.971 -177.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.03 -44.7 99.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 118.957 -1.097 . . . . 0.0 110.538 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.692 HD22 HD21 ' A' ' 61' ' ' LEU . 26.0 tp -67.54 -41.5 84.21 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.5 p -57.56 -34.42 47.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.282 -177.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HB1' ' C ' ' B' ' 75' ' ' VAL . . . -60.42 -39.32 86.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.072 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.91 -42.12 73.76 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.296 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -64.84 -38.66 91.71 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.539 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -59.58 -40.47 87.48 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 118.883 -1.127 . . . . 0.0 109.545 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.84 -41.64 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.044 0.449 . . . . 0.0 109.93 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.9 -34.79 78.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.605 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 77.6 m -58.17 -35.17 71.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.602 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -55.69 -36.86 67.61 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.588 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 CA--C 1.516 -0.363 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.6 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.717 0.294 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.9 -34.47 76.09 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.682 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.439 HD22 ' OE1' ' A' ' 40' ' ' GLU . 49.0 tp -57.23 -40.07 76.81 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.31 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.1 -39.67 90.85 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.398 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.0 m -63.81 -42.4 97.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.114 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' B' ' 11' ' ' LEU . . . -63.61 -45.17 91.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.438 0.637 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmm -52.16 -50.69 61.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.891 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -70.13 -36.18 74.61 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.246 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.9 m -58.82 -42.71 89.84 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 7' ' ' ALA . 83.3 mt -57.56 -47.63 81.54 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 121.861 0.839 . . . . 0.0 110.393 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.7 mt -64.31 -38.85 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.125 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -59.79 -39.97 86.73 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.634 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.42 HG23 ' N ' ' B' ' 15' ' ' PHE . 28.4 m -77.57 -47.81 25.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 119.594 -0.842 . . . . 0.0 112.557 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.493 ' CD1' HD13 ' B' ' 36' ' ' LEU . 72.7 m-85 -67.47 -43.21 81.56 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 119.07 -1.052 . . . . 0.0 111.661 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -62.44 -44.32 96.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.871 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.4 74.97 Favored 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.738 ' CG ' HD21 ' B' ' 36' ' ' LEU . 6.0 t60 -70.27 -44.19 68.93 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 120.791 0.329 . . . . 0.0 111.782 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.486 ' O ' ' O ' ' B' ' 22' ' ' GLU . 84.8 p -60.75 -29.93 69.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.617 -178.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.94 -33.91 76.12 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.848 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -58.26 -40.12 81.0 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.283 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.521 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.6 mt-10 -137.44 143.86 42.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 110.771 179.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.67 -165.36 52.49 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -72.31 147.93 45.87 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.077 0.465 . . . . 0.0 109.975 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.47 ' O ' ' OG ' ' B' ' 19' ' ' SER . 64.8 mttm -58.95 -32.63 69.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.711 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 75.2 m-85 -105.51 13.9 29.42 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -176.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -123.7 132.84 53.92 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.548 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.516 ' O ' ' O ' ' B' ' 69' ' ' VAL . 56.0 mt -100.67 137.2 39.39 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 121.4 0.619 . . . . 0.0 109.95 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -101.34 157.55 16.71 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.608 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 58.5 tttt -51.52 -41.68 61.2 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 118.934 -1.106 . . . . 0.0 109.273 -178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.79 -50.51 72.05 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.193 -0.603 . . . . 0.0 112.126 177.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.521 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -63.53 -41.48 98.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.614 -175.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.62 -42.9 99.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.204 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.522 ' HZ1' ' NE2' ' B' ' 38' ' ' GLN . 11.8 tptp -61.6 -46.26 90.61 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.833 177.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.71 -38.03 85.9 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.928 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.738 HD21 ' CG ' ' B' ' 18' ' ' HIS . 85.6 mt -66.34 -46.46 76.75 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.882 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.553 HD21 ' OH ' ' B' ' 74' ' ' TYR . 77.7 mt -68.44 -43.09 77.84 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 119.079 -1.048 . . . . 0.0 110.884 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.522 ' NE2' ' HZ1' ' B' ' 34' ' ' LYS . 51.4 tt0 -64.48 -42.3 95.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.025 -0.989 . . . . 0.0 113.35 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.494 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.9 t -83.51 -47.0 11.8 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.758 -0.777 . . . . 0.0 112.386 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.641 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.7 mt-10 -73.18 -33.79 65.62 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.481 -178.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.641 HD12 ' C ' ' B' ' 40' ' ' GLU . 9.0 mp -122.13 51.94 1.32 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.468 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -54.9 -31.72 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.435 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.78 -67.99 1.4 Allowed Glycine 0 CA--C 1.533 1.156 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.348 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -57.66 -43.3 84.88 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.612 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.6 OUTLIER -91.69 -3.54 56.16 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' B' ' 45' ' ' LEU . 61.3 t0 -24.71 84.63 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.565 0.698 . . . . 0.0 111.541 -177.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.612 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -65.78 -21.7 66.52 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.838 -1.073 . . . . 0.0 111.784 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -55.21 -35.16 64.58 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.16 -178.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.516 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 48.1 mmtt -58.99 -37.86 77.84 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.516 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.2 m-20 -142.33 87.43 2.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.964 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 39.7 t -60.38 -44.38 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.272 0.558 . . . . 0.0 111.199 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.62 -33.07 71.03 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.837 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.07 -28.36 62.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.862 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.6 t -56.49 -44.74 81.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.162 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.608 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 84.3 m-20 -61.86 -41.58 98.01 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.433 0.635 . . . . 0.0 110.073 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -61.72 -39.46 91.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.321 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.38 -46.91 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.995 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.487 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.1 ppp? -64.84 -35.7 81.96 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.038 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -57.62 -41.11 80.68 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.98 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.18 -36.57 84.62 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.319 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.669 HD21 HD22 ' B' ' 77' ' ' LEU . 84.3 mt -66.69 -36.27 82.11 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.477 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 50.7 t0 -75.1 85.41 2.35 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.326 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.98 -38.23 88.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.368 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.413 ' ND2' ' HB3' ' B' ' 66' ' ' ASP . 44.0 p-10 -90.03 0.52 57.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.444 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 73.26 14.28 79.25 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.89 178.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.8 p30 -62.28 -33.13 74.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.818 0.342 . . . . 0.0 111.704 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.01 -7.37 62.57 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 80.6 tt0 -115.36 146.57 41.44 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.516 ' O ' ' O ' ' B' ' 28' ' ' LEU . 48.0 t -104.23 132.72 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.515 0.674 . . . . 0.0 111.679 -178.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.9 t0 -97.88 145.54 26.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.624 178.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.517 ' O ' HG13 ' B' ' 75' ' ' VAL . 79.3 t80 -51.16 -39.44 56.35 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.414 ' O ' HG22 ' B' ' 75' ' ' VAL . 63.3 tt0 -57.91 -41.09 81.93 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.552 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.495 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 98.9 mt-10 -67.17 -40.72 86.65 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.175 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.553 ' OH ' HD21 ' B' ' 37' ' ' LEU . 93.1 t80 -64.65 -41.33 96.19 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.517 HG13 ' O ' ' B' ' 71' ' ' PHE . 26.4 m -62.82 -37.49 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 119.583 -0.847 . . . . 0.0 111.905 -177.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.8 t -62.11 -44.68 99.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 118.932 -1.107 . . . . 0.0 110.451 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.669 HD22 HD21 ' B' ' 61' ' ' LEU . 26.3 tp -67.58 -41.53 83.99 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.499 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.5 p -57.54 -34.38 46.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.342 -177.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.439 ' HB1' ' C ' ' A' ' 75' ' ' VAL . . . -60.44 -39.33 87.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.056 -179.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.88 -42.18 73.78 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.295 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 0.7 OUTLIER -64.75 -38.76 92.08 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -179.473 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.412 HG22 ' O ' ' B' ' 79' ' ' ALA . 1.8 t -59.55 -40.48 87.4 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 118.806 -1.158 . . . . 0.0 109.574 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.85 -41.64 91.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.039 0.447 . . . . 0.0 109.883 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.76 78.65 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.682 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 76.7 m -58.14 -35.19 71.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.655 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -55.64 -36.9 67.53 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.532 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 CA--C 1.515 -0.367 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.503 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 30.6 t . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 120.556 0.217 . . . . 0.0 111.283 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -64.88 -36.98 86.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.21 -40.22 93.18 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.702 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.07 -41.18 96.15 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.561 -0.856 . . . . 0.0 108.834 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.1 m -65.94 -37.68 86.66 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.152 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.17 -50.05 69.67 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.918 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.5 mtm -59.04 -41.82 88.77 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 119.205 -0.998 . . . . 0.0 109.894 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.555 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 76.6 mm-40 -67.53 -36.37 80.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.837 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.9 m -61.38 -43.95 97.99 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.37 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.97 -46.65 88.32 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.72 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.718 HG23 ' CE1' ' A' ' 16' ' ' HIS . 91.0 mt -60.36 -46.54 94.9 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.475 179.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.613 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 84.8 m-20 -61.08 -39.33 89.48 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.606 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 10' ' ' THR . 77.4 t -67.24 -48.3 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.878 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.596 ' HD1' HD13 ' A' ' 36' ' ' LEU . 64.8 m-85 -70.01 -50.22 43.59 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.015 -178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.718 ' CE1' HG23 ' A' ' 12' ' ' ILE . 80.1 m80 -60.71 -35.41 76.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.067 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 13' ' ' ASN . . . -60.41 -42.34 95.77 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.796 -178.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.74 ' HB2' HD21 ' A' ' 36' ' ' LEU . 98.9 m-70 -89.57 -28.03 19.84 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.813 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.512 ' OG ' HD21 ' A' ' 28' ' ' LEU . 21.2 m -59.26 -36.5 75.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.947 0.403 . . . . 0.0 110.874 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.82 -31.25 67.51 Favored Glycine 0 CA--C 1.522 0.476 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.581 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -56.66 -38.16 71.81 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.764 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.486 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.0 mt-10 -137.1 142.78 42.32 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.259 0.552 . . . . 0.0 111.725 178.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.28 -146.91 42.88 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.834 177.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -83.73 133.12 34.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.424 -0.888 . . . . 0.0 111.545 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -55.59 -37.66 68.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.788 0.804 . . . . 0.0 109.884 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.604 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 m-30 -71.51 -19.26 62.21 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.087 -1.415 . . . . 0.0 112.141 -176.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -112.08 139.04 47.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.512 HD21 ' OG ' ' A' ' 19' ' ' SER . 66.8 mt -105.44 132.32 51.75 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.29 -1.323 . . . . 0.0 107.86 174.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -102.18 166.11 10.77 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 46.6 mtpt -52.19 -39.79 60.62 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 118.608 -1.237 . . . . 0.0 109.238 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -63.37 -51.9 63.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.146 -0.622 . . . . 0.0 112.488 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.486 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.8 mt-10 -64.02 -40.97 97.5 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.634 0.73 . . . . 0.0 110.949 -175.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.38 -41.95 96.42 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.268 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.597 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 1.5 tptp -60.16 -47.67 84.96 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.541 -1.208 . . . . 0.0 111.998 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.513 ' O ' HG22 ' A' ' 39' ' ' THR . 77.8 mm-40 -69.99 -38.02 75.88 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.083 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.74 HD21 ' HB2' ' A' ' 18' ' ' HIS . 43.7 mt -63.89 -50.64 67.94 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 119.87 -0.732 . . . . 0.0 112.347 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.57 HD23 HD12 ' A' ' 45' ' ' LEU . 10.1 mp -72.67 -44.65 61.56 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 119.449 -0.901 . . . . 0.0 111.919 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.597 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 64.6 tt0 -63.9 -42.37 97.46 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -80.82 -46.56 15.17 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.886 -0.726 . . . . 0.0 112.643 -178.384 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.556 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 73.8 mm-40 -73.41 -36.28 65.98 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 118.733 -1.187 . . . . 0.0 111.305 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.5 mt -125.39 57.18 1.33 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.979 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.9 m -55.54 -34.3 64.59 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.999 -0.281 . . . . 0.0 111.231 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.43 -66.34 1.74 Allowed Glycine 0 CA--C 1.53 0.981 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.546 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -60.04 -43.75 95.12 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -177.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.802 ' O ' ' N ' ' A' ' 47' ' ' ALA . 3.1 mm? -88.04 -7.23 57.33 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -179.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.684 ' O ' ' N ' ' A' ' 48' ' ' GLN . 52.9 t0 -25.25 69.33 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -177.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.837 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . 39.38 13.0 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.714 0.292 . . . . 0.0 111.115 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.684 ' N ' ' O ' ' A' ' 46' ' ' ASP . 91.7 mt-30 59.23 38.05 23.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 -177.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 58.96 30.29 20.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.426 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.837 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 60.0 t0 -145.66 125.77 13.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.79 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.2 -40.24 88.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -87.83 4.03 46.05 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.739 ' HB2' ' HB3' ' A' ' 50' ' ' ASP . . . -60.3 -30.93 69.8 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.577 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.436 HG21 ' HD3' ' A' ' 34' ' ' LYS . 78.4 t -58.86 -45.0 91.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.435 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 90.1 m-20 -62.0 -42.11 98.8 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.306 179.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.13 -39.81 93.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.424 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 53' ' ' ALA . 76.0 t -66.36 -47.64 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.395 -179.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.526 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.8 ppp? -65.83 -35.95 82.11 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.351 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -56.76 -40.82 76.51 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.541 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.67 -36.58 84.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.556 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.649 HD21 HD22 ' A' ' 77' ' ' LEU . 79.5 mt -66.53 -36.96 83.97 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.763 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 52.0 t0 -76.96 88.67 3.51 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.475 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.3 -38.76 88.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.383 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.441 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 45.1 p-10 -90.8 0.31 57.49 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -177.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.462 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 72.53 14.3 77.55 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.808 178.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.64 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.7 p30 -62.47 -33.03 74.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.64 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.3 -7.79 62.2 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -178.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.48 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 84.5 tt0 -112.5 142.51 44.98 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 61' ' ' LEU . 42.8 t -105.22 131.34 54.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.364 0.602 . . . . 0.0 111.083 -178.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 58.1 t0 -96.96 144.8 26.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.459 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.594 ' CE2' ' CG1' ' A' ' 75' ' ' VAL . 77.3 t80 -50.87 -37.78 45.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.416 ' O ' HG22 ' A' ' 75' ' ' VAL . 94.2 mt-30 -58.95 -39.2 80.92 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.614 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.477 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -68.36 -41.38 80.73 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.75 0.786 . . . . 0.0 109.962 178.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.8 -40.91 95.99 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.594 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 27.7 m -62.4 -36.58 75.5 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.881 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.09 -44.67 99.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 C-N-CA 118.929 -1.108 . . . . 0.0 110.476 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.649 HD22 HD21 ' A' ' 61' ' ' LEU . 24.8 tp -67.7 -42.14 82.5 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.6 p -57.91 -35.19 50.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 119.769 -0.773 . . . . 0.0 110.989 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' B' ' 75' ' ' VAL . . . -60.82 -39.0 87.38 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.346 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.09 -41.08 74.53 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.718 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.434 HD13 HD11 ' A' ' 45' ' ' LEU . 73.4 mt -64.03 -38.32 90.63 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -178.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 0.6 OUTLIER -58.0 -41.2 82.55 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.139 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.87 -41.33 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.67 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.74 -30.75 71.81 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.685 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -54.34 -39.43 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.189 -179.076 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.532 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 49.7 t-20 -58.25 -38.22 76.48 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.357 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 CA--C 1.518 -0.268 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.75 -178.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.556 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 30.5 t . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 120.57 0.224 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -64.86 -37.08 86.42 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.23 -40.17 93.03 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.679 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.13 -41.24 96.37 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -65.88 -37.64 86.67 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.211 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.19 -49.99 69.86 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.967 -177.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.4 mtm -59.09 -41.78 88.89 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 119.175 -1.01 . . . . 0.0 109.871 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.557 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 76.7 mm-40 -67.59 -36.39 80.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.764 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.622 ' O ' HG23 ' B' ' 14' ' ' VAL . 48.1 m -61.36 -43.9 98.08 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.386 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.05 -46.64 88.24 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.659 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.714 HG23 ' CE1' ' B' ' 16' ' ' HIS . 91.0 mt -60.32 -46.6 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.498 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.613 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 84.7 m-20 -61.02 -39.36 89.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.604 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.622 HG23 ' O ' ' B' ' 10' ' ' THR . 77.2 t -67.28 -48.24 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.897 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.579 ' HD1' HD13 ' B' ' 36' ' ' LEU . 65.2 m-85 -69.97 -50.15 44.57 Favored 'General case' 0 N--CA 1.461 0.091 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.127 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.714 ' CE1' HG23 ' B' ' 12' ' ' ILE . 79.9 m80 -60.8 -35.48 76.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.985 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' B' ' 13' ' ' ASN . . . -60.4 -42.26 95.55 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.877 -178.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.761 ' HB2' HD21 ' B' ' 36' ' ' LEU . 98.9 m-70 -89.58 -28.07 19.8 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.916 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.517 ' OG ' HD21 ' B' ' 28' ' ' LEU . 20.8 m -59.16 -36.53 75.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.379 . . . . 0.0 110.819 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.98 -31.04 67.59 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.599 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -56.71 -38.15 71.93 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.01 -0.676 . . . . 0.0 110.751 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.496 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.0 mt-10 -137.11 142.7 42.3 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.344 0.593 . . . . 0.0 111.768 178.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.29 -146.91 42.92 Favored Glycine 0 CA--C 1.527 0.797 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.798 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -83.71 133.17 34.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.436 -0.882 . . . . 0.0 111.583 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -55.6 -37.73 68.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.749 0.785 . . . . 0.0 109.821 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.2 m-30 -71.5 -19.23 62.22 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.195 -176.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -112.07 139.02 47.93 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.517 HD21 ' OG ' ' B' ' 19' ' ' SER . 66.9 mt -105.41 132.31 51.76 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 114.285 -1.325 . . . . 0.0 107.963 174.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -102.05 165.96 10.88 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.417 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 46.7 mtpt -51.98 -39.95 60.18 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 118.636 -1.226 . . . . 0.0 109.303 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -63.27 -51.96 63.97 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.104 -0.638 . . . . 0.0 112.481 178.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.496 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.7 mt-10 -63.98 -40.94 97.51 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.991 -175.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.42 -41.87 96.35 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.625 -1.17 . . . . 0.0 109.264 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.594 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 1.4 tptp -60.28 -47.51 85.69 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 114.591 -1.186 . . . . 0.0 112.037 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.501 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -70.03 -38.09 75.79 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.046 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.761 HD21 ' HB2' ' B' ' 18' ' ' HIS . 43.6 mt -63.97 -50.55 68.13 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.325 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.568 HD23 HD12 ' B' ' 45' ' ' LEU . 10.0 mp -72.7 -44.67 61.46 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.917 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.594 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.6 tt0 -63.83 -42.39 97.63 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.501 HG22 ' O ' ' B' ' 35' ' ' GLU . 0.7 OUTLIER -80.82 -46.62 15.07 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.891 -0.724 . . . . 0.0 112.58 -178.361 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.503 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 73.9 mm-40 -73.4 -36.28 66.0 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 118.762 -1.175 . . . . 0.0 111.295 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -125.43 57.32 1.33 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.942 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 20.9 m -55.64 -34.2 64.72 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.206 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.54 -66.28 1.74 Allowed Glycine 0 CA--C 1.53 1.006 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.536 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -60.16 -43.58 95.66 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.81 ' O ' ' N ' ' B' ' 47' ' ' ALA . 3.1 mm? -88.18 -7.28 57.12 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.682 ' O ' ' N ' ' B' ' 48' ' ' GLN . 52.8 t0 -25.17 69.37 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -177.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.819 ' HB1' ' O ' ' B' ' 50' ' ' ASP . . . 39.31 12.98 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.713 0.292 . . . . 0.0 111.247 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.682 ' N ' ' O ' ' B' ' 46' ' ' ASP . 91.7 mt-30 59.26 38.02 23.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -177.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 58.97 30.36 20.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.661 -1.154 . . . . 0.0 109.38 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.819 ' O ' ' HB1' ' B' ' 47' ' ' ALA . 60.1 t0 -145.8 125.76 13.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.753 178.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 74.9 t -65.12 -40.25 88.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -87.82 4.02 46.04 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.741 ' HB2' ' HB3' ' B' ' 50' ' ' ASP . . . -60.42 -30.78 69.84 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.56 -179.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.437 HG21 ' HD3' ' B' ' 34' ' ' LYS . 78.9 t -58.87 -45.03 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.417 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 90.1 m-20 -61.89 -42.28 98.89 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.266 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.04 -39.8 93.57 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.463 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 53' ' ' ALA . 76.5 t -66.48 -47.55 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.397 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.528 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.8 ppp? -65.88 -35.85 81.77 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.336 -0.546 . . . . 0.0 111.432 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -56.9 -40.7 76.75 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.577 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.62 -36.62 84.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.599 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.667 HD21 HD22 ' B' ' 77' ' ' LEU . 79.6 mt -66.6 -36.88 83.68 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.76 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.478 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 52.0 t0 -76.95 88.58 3.51 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.502 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.27 -38.69 88.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.392 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.442 ' OD1' ' OD1' ' B' ' 62' ' ' ASP . 44.8 p-10 -90.9 0.48 57.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -177.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.454 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 72.36 14.44 77.06 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.913 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.648 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.7 p30 -62.51 -33.11 74.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.648 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.35 -7.84 62.13 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -178.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.477 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 84.5 tt0 -112.5 142.38 45.13 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.426 HG13 ' HB3' ' B' ' 61' ' ' LEU . 42.9 t -105.18 131.41 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.463 0.649 . . . . 0.0 111.058 -178.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 58.1 t0 -96.93 144.83 26.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.477 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.594 ' CE2' ' CG1' ' B' ' 75' ' ' VAL . 77.3 t80 -50.9 -37.88 46.45 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.414 ' O ' HG22 ' B' ' 75' ' ' VAL . 94.3 mt-30 -58.94 -39.17 80.8 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.588 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.489 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 98.7 mt-10 -68.4 -41.34 80.62 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.712 0.768 . . . . 0.0 109.975 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.82 -40.85 95.87 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.594 ' CG1' ' CE2' ' B' ' 71' ' ' PHE . 27.5 m -62.4 -36.5 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 119.882 -0.727 . . . . 0.0 111.897 -177.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.2 -44.68 99.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 C-N-CA 119.008 -1.077 . . . . 0.0 110.396 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.667 HD22 HD21 ' B' ' 61' ' ' LEU . 24.9 tp -67.71 -42.16 82.43 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.6 p -57.88 -35.21 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 119.671 -0.811 . . . . 0.0 111.015 -177.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 75' ' ' VAL . . . -60.79 -39.08 87.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.3 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.12 -40.98 74.56 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.349 -0.541 . . . . 0.0 110.701 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.439 HD13 HD11 ' B' ' 45' ' ' LEU . 73.7 mt -64.1 -38.28 90.48 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -178.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.561 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 0.6 OUTLIER -58.04 -41.23 82.78 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.141 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.78 -41.4 90.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.691 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.8 -30.79 71.85 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.638 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -54.26 -39.35 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.309 -179.194 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.523 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 49.6 t-20 -58.4 -38.13 76.74 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.392 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 CA--C 1.519 -0.246 0 C-N-CA 120.174 -0.611 . . . . 0.0 109.889 -179.06 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.493 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 95.4 p . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.762 0.315 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.78 -37.14 85.51 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.91 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' B' ' 40' ' ' GLU . 36.9 tp -60.42 -39.97 89.32 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.55 -41.2 94.07 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 119.533 -0.867 . . . . 0.0 109.619 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.8 m -66.03 -39.28 90.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.557 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -47.66 77.45 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.1 mtm -57.2 -42.31 81.02 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 118.647 -1.221 . . . . 0.0 108.947 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -65.95 -37.75 86.82 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 113.744 -1.571 . . . . 0.0 109.479 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.5 m -61.56 -42.17 98.44 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.422 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.89 -44.12 86.51 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.617 0.723 . . . . 0.0 109.709 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.2 mt -67.0 -38.0 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.452 178.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -60.19 -41.14 92.31 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.584 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.1 m -76.02 -38.56 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.513 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.553 ' CE2' ' CG ' ' A' ' 71' ' ' PHE . 2.5 t80 -62.6 -47.97 81.45 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.865 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -61.85 -45.07 95.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.361 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.45 -52.01 44.64 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.236 -0.586 . . . . 0.0 112.507 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.574 ' CB ' HD21 ' A' ' 36' ' ' LEU . 87.0 m-70 -64.3 -46.12 84.99 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 89.9 p -61.8 -30.89 71.11 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.059 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.48 -33.97 83.65 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.261 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -58.38 -39.18 78.91 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.665 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.515 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -131.49 149.8 52.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.959 0.409 . . . . 0.0 111.397 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.74 -159.96 6.97 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.82 146.48 49.68 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.08 0.467 . . . . 0.0 110.354 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' O ' ' OG ' ' A' ' 19' ' ' SER . 62.5 mttt -58.72 -33.23 69.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.131 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.485 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 1.4 m-85 -102.59 11.41 37.83 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -175.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -130.85 135.39 47.67 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.782 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.7 mt -101.21 138.0 38.81 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 121.385 0.612 . . . . 0.0 110.865 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.4 m -102.97 161.5 13.7 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -52.57 -40.41 62.57 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.885 -1.126 . . . . 0.0 109.149 -178.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -61.24 -50.04 74.67 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.158 -0.617 . . . . 0.0 111.987 177.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.515 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.6 mt-10 -63.17 -40.43 97.51 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.304 -176.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.413 ' CD1' HG11 ' A' ' 69' ' ' VAL . 8.6 tt -62.59 -41.23 98.84 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.631 -1.168 . . . . 0.0 109.165 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.488 ' HD3' HG21 ' A' ' 54' ' ' VAL . 15.4 tptm -60.79 -46.13 91.7 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.599 177.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' O ' HG22 ' A' ' 39' ' ' THR . 77.8 mm-40 -66.26 -37.3 85.16 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 119.918 -0.713 . . . . 0.0 111.439 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.574 HD21 ' CB ' ' A' ' 18' ' ' HIS . 92.1 mt -65.78 -47.0 76.63 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 119.341 -0.944 . . . . 0.0 112.342 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.488 HD21 ' OH ' ' A' ' 74' ' ' TYR . 64.8 mt -68.23 -42.43 79.75 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.145 -1.022 . . . . 0.0 110.598 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.41 -41.86 98.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.953 -1.021 . . . . 0.0 112.938 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.7 t -85.04 -45.74 11.83 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.452 -178.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.532 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 78.4 mm-40 -72.18 -35.2 68.91 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.447 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.1 mt -121.86 41.62 3.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.378 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -53.81 -33.41 55.99 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.188 -179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.79 -63.7 1.73 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.486 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -58.59 -44.75 89.95 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -89.7 -3.12 58.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.22 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.531 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.2 t0 -25.63 115.4 0.05 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.759 0.79 . . . . 0.0 110.897 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.549 ' O ' ' O ' ' A' ' 50' ' ' ASP . . . -62.88 -27.88 69.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.36 -1.291 . . . . 0.0 113.377 -177.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -56.77 -39.75 74.6 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.587 -177.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -63.53 -38.47 91.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.753 ' HB3' ' HB2' ' A' ' 53' ' ' ALA . 87.2 m-20 -106.41 152.65 23.33 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.29 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.0 t -108.88 126.83 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 46.24 34.37 2.16 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.055 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.753 ' HB2' ' HB3' ' A' ' 50' ' ' ASP . . . -63.3 -33.5 75.66 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.046 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.488 HG21 ' HD3' ' A' ' 34' ' ' LYS . 71.4 t -58.49 -44.92 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.322 -178.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 90.2 m-20 -62.4 -42.32 99.34 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.424 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -60.32 -40.0 89.04 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.254 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.2 -44.61 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.509 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.4 ppp? -67.41 -39.9 85.55 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 72.9 mmtt -59.7 -38.32 81.28 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 119.336 -0.946 . . . . 0.0 111.716 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.47 -39.26 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.674 -0.811 . . . . 0.0 110.472 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.509 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 81.3 mt -68.41 -35.93 78.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.159 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 97.9 m-20 -91.34 33.17 0.99 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -178.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -53.14 -33.07 50.8 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.561 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.882 HD22 ' H ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -55.79 -30.38 61.24 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.875 -179.351 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.882 ' H ' HD22 ' A' ' 64' ' ' ASN . . . 93.27 6.52 62.88 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.684 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.1 p30 -61.21 -35.08 76.21 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.684 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.76 -10.26 70.6 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.482 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 83.6 tt0 -121.67 154.86 36.28 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.413 HG11 ' CD1' ' A' ' 33' ' ' LEU . 47.8 t -101.24 129.7 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 119.404 -0.919 . . . . 0.0 111.623 -178.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -88.94 131.58 35.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.229 -1.35 . . . . 0.0 110.05 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.553 ' CG ' ' CE2' ' A' ' 15' ' ' PHE . 78.2 t80 -51.29 -38.7 54.25 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.375 -179.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.482 ' HG2' HG11 ' B' ' 83' ' ' VAL . 26.3 mt-30 -58.17 -39.8 79.8 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.684 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.9 mt-10 -68.51 -38.62 81.09 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.178 0.513 . . . . 0.0 110.848 178.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.488 ' OH ' HD21 ' A' ' 37' ' ' LEU . 90.2 t80 -63.33 -42.45 98.98 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.555 HG21 HG21 ' B' ' 83' ' ' VAL . 32.8 m -65.51 -32.54 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.917 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.8 t -63.1 -47.15 93.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 119.276 -0.97 . . . . 0.0 110.551 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 77' ' ' LEU . 2.6 mm? -73.11 -39.57 65.68 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -56.42 -36.68 47.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.18 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.403 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.58 -39.49 88.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.105 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.42 -40.62 81.15 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.913 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.82 -40.75 97.37 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.294 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.2 t -61.21 -45.07 96.08 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 118.665 -1.214 . . . . 0.0 109.382 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.573 HG21 HG21 ' B' ' 75' ' ' VAL . 96.4 t -66.09 -39.59 84.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.318 178.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.58 74.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.742 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 75.2 m -55.69 -36.98 67.75 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.31 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -57.17 -34.73 68.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.186 -179.033 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.532 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 95.2 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.749 0.309 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.84 -37.03 85.18 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.896 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 40' ' ' GLU . 37.1 tp -60.42 -40.01 89.48 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.63 -41.17 94.35 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 119.546 -0.862 . . . . 0.0 109.544 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 48.9 m -65.99 -39.3 90.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.557 178.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' B' ' 11' ' ' LEU . . . -64.67 -47.71 77.44 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.0 mtm -57.17 -42.33 80.91 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 118.625 -1.23 . . . . 0.0 108.984 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -65.98 -37.7 86.65 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 113.638 -1.619 . . . . 0.0 109.48 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.0 m -61.5 -42.2 98.44 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.419 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 7' ' ' ALA . 89.0 mt -57.96 -44.01 86.77 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.675 0.75 . . . . 0.0 109.714 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.4 mt -67.05 -38.0 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.41 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -60.21 -41.19 92.52 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.565 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.2 m -75.92 -38.59 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 C-N-CA 119.924 -0.711 . . . . 0.0 110.557 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.558 ' CE2' ' CG ' ' B' ' 71' ' ' PHE . 2.6 t80 -62.56 -48.03 81.26 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.887 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -61.78 -45.08 95.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.399 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.42 -52.08 44.02 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.241 -0.584 . . . . 0.0 112.431 -178.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.568 ' CB ' HD21 ' B' ' 36' ' ' LEU . 87.1 m-70 -64.24 -46.19 84.89 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.466 ' O ' ' O ' ' B' ' 22' ' ' GLU . 89.6 p -61.83 -30.9 71.14 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.024 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.43 -34.12 84.02 Favored Glycine 0 CA--C 1.526 0.727 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.27 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -58.2 -39.26 78.52 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.706 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.508 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.8 mm-40 -131.49 149.8 52.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.957 0.408 . . . . 0.0 111.367 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.7 -159.95 6.91 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.79 146.55 49.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.07 0.462 . . . . 0.0 110.355 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -58.77 -33.33 70.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.093 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.429 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 1.4 m-85 -102.49 11.37 38.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -175.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -130.91 135.41 47.65 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.693 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.7 mt -101.21 137.94 38.9 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.389 0.614 . . . . 0.0 110.894 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 54.7 m -102.91 161.54 13.67 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -52.55 -40.44 62.55 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.187 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -61.31 -49.99 74.76 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.982 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.508 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.6 mt-10 -63.14 -40.51 97.79 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.249 -176.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.421 ' CD1' HG11 ' B' ' 69' ' ' VAL . 8.6 tt -62.51 -41.17 98.65 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.259 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.475 ' HD3' HG21 ' B' ' 54' ' ' VAL . 15.4 tptm -60.81 -46.11 91.82 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.628 177.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.407 ' O ' HG22 ' B' ' 39' ' ' THR . 77.8 mm-40 -66.32 -37.21 84.86 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 119.826 -0.75 . . . . 0.0 111.472 179.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.568 HD21 ' CB ' ' B' ' 18' ' ' HIS . 91.9 mt -65.96 -46.75 76.97 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 119.201 -1.0 . . . . 0.0 112.381 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.482 HD21 ' OH ' ' B' ' 74' ' ' TYR . 64.4 mt -68.26 -42.45 79.58 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 119.107 -1.037 . . . . 0.0 110.605 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.37 -41.94 98.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.892 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.476 HG23 ' N ' ' B' ' 40' ' ' GLU . 2.7 t -84.93 -45.81 11.86 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.141 -0.624 . . . . 0.0 112.465 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.514 ' HB3' HD23 ' A' ' 4' ' ' LEU . 78.3 mm-40 -72.22 -35.1 68.78 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.296 -0.562 . . . . 0.0 111.454 -178.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 76.4 mt -121.8 41.53 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.403 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -53.94 -33.31 56.42 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.193 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.82 -63.73 1.73 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.46 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -58.5 -44.74 89.56 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -89.84 -3.06 58.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.098 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.533 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.2 t0 -25.63 115.45 0.05 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.723 0.773 . . . . 0.0 110.855 -177.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.565 ' O ' ' O ' ' B' ' 50' ' ' ASP . . . -62.92 -27.88 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.365 -1.288 . . . . 0.0 113.44 -177.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -56.76 -39.76 74.61 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.374 -0.93 . . . . 0.0 111.592 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -63.6 -38.28 90.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.755 ' HB3' ' HB2' ' B' ' 53' ' ' ALA . 87.3 m-20 -106.65 152.68 23.44 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.268 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.9 t -108.78 126.78 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 46.18 34.44 2.14 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.071 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.755 ' HB2' ' HB3' ' B' ' 50' ' ' ASP . . . -63.28 -33.49 75.62 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.143 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.475 HG21 ' HD3' ' B' ' 34' ' ' LYS . 71.7 t -58.49 -44.91 90.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.362 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.31 -42.39 99.32 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.441 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -60.34 -39.94 88.92 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.895 -0.722 . . . . 0.0 110.227 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.6 t -67.27 -44.61 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.515 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.4 ppp? -67.43 -39.85 85.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -59.73 -38.26 81.23 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.282 -0.967 . . . . 0.0 111.748 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.49 -39.31 93.56 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.403 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.508 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 81.3 mt -68.27 -35.98 78.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.157 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.483 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 97.9 m-20 -91.46 33.31 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -53.21 -33.01 50.98 Favored 'General case' 0 CA--C 1.503 -0.838 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.574 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.895 HD22 ' H ' ' B' ' 65' ' ' GLY . 0.0 OUTLIER -55.83 -30.34 61.27 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.884 -179.4 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.895 ' H ' HD22 ' B' ' 64' ' ' ASN . . . 93.28 6.46 62.9 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.676 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.1 p30 -61.09 -35.06 75.97 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.676 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.7 -10.38 70.68 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.483 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 83.7 tt0 -121.63 155.0 36.04 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.421 HG11 ' CD1' ' B' ' 33' ' ' LEU . 48.0 t -101.38 129.74 52.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 119.351 -0.94 . . . . 0.0 111.55 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -88.9 131.59 35.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.207 -1.36 . . . . 0.0 110.087 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.558 ' CG ' ' CE2' ' B' ' 15' ' ' PHE . 78.2 t80 -51.23 -38.77 54.38 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.384 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.473 ' HG2' HG11 ' A' ' 83' ' ' VAL . 26.3 mt-30 -58.18 -39.77 79.78 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.691 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.508 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 99.0 mt-10 -68.49 -38.64 81.18 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.174 0.511 . . . . 0.0 110.803 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.482 ' OH ' HD21 ' B' ' 37' ' ' LEU . 90.3 t80 -63.3 -42.49 99.04 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.573 HG21 HG21 ' A' ' 83' ' ' VAL . 32.8 m -65.5 -32.57 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.915 -178.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.01 -47.23 93.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 119.382 -0.927 . . . . 0.0 110.538 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.617 ' N ' HD22 ' B' ' 77' ' ' LEU . 2.5 mm? -73.14 -39.51 65.65 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -56.45 -36.66 48.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 C-N-CA 119.164 -1.014 . . . . 0.0 111.152 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.411 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.68 -39.34 88.07 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.137 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.71 81.28 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.936 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.9 mt -63.66 -40.87 97.92 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.411 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.2 t -61.22 -45.05 96.17 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 118.607 -1.237 . . . . 0.0 109.33 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.555 HG21 HG21 ' A' ' 75' ' ' VAL . 96.5 t -66.07 -39.54 84.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.302 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.83 -33.49 74.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.786 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 75.4 m -55.76 -36.87 67.79 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.36 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -57.31 -34.64 68.93 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.212 -179.059 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.952 0.406 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.42 -34.33 75.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.763 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.459 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 41.2 tp -57.85 -41.15 81.8 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.68 -40.85 93.68 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.48 -0.888 . . . . 0.0 108.978 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.8 m -65.51 -37.62 87.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.115 177.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.13 73.85 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.85 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.1 mtm -59.17 -40.92 87.17 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 118.711 -1.196 . . . . 0.0 109.777 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.581 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.9 mt-10 -67.15 -37.41 83.74 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.826 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 14' ' ' VAL . 46.7 m -62.2 -43.67 98.31 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.72 -44.57 96.66 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.785 HD13 HD21 ' B' ' 86' ' ' ASN . 78.6 mt -65.66 -43.61 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.073 179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.581 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 85.4 m-20 -60.39 -40.14 89.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 10' ' ' THR . 71.1 t -66.54 -42.84 90.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 121.508 0.67 . . . . 0.0 109.684 178.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.452 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 4.6 t80 -62.07 -51.81 66.46 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.592 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.51 -38.2 89.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.654 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.3 95.89 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.43 ' ND1' HD21 ' A' ' 36' ' ' LEU . 63.9 m170 -99.5 -28.29 13.31 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.477 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 23.3 t -58.47 -37.82 76.27 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.274 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.73 -28.45 65.58 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-N 115.879 -0.6 . . . . 0.0 113.154 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -56.7 -40.26 75.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.434 0.617 . . . . 0.0 112.161 -177.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.526 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.7 mm-40 -140.53 138.91 34.9 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.077 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.0 -163.81 53.83 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -72.74 144.33 47.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.75 0.309 . . . . 0.0 110.369 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.477 ' O ' ' OG ' ' A' ' 19' ' ' SER . 86.5 mttt -59.42 -38.4 80.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 122.363 1.078 . . . . 0.0 108.782 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.505 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 69.5 m-85 -69.53 -25.37 63.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 112.965 -1.925 . . . . 0.0 113.208 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CB ' ' OE2' ' A' ' 68' ' ' GLU . 16.0 mmtm -114.04 141.98 46.76 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 28' ' ' LEU . 86.1 mt -100.47 139.72 35.76 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.903 175.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.7 t -100.54 156.16 17.44 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -50.77 -38.92 50.8 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.195 -1.002 . . . . 0.0 108.835 -178.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -61.66 -51.58 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.108 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.526 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.9 mt-10 -65.01 -40.95 95.63 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.452 -176.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.424 ' O ' HD13 ' A' ' 37' ' ' LEU . 8.2 tt -64.19 -42.87 96.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.498 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.595 ' HD3' HG21 ' A' ' 54' ' ' VAL . 9.6 tptp -60.87 -46.69 89.6 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.198 178.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.497 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -67.84 -37.54 82.02 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.556 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.43 HD21 ' ND1' ' A' ' 18' ' ' HIS . 19.0 mt -64.79 -47.99 76.07 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 119.417 -0.913 . . . . 0.0 112.067 178.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.508 ' CB ' HD23 ' A' ' 45' ' ' LEU . 7.0 mp -71.69 -47.41 54.28 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.407 -0.917 . . . . 0.0 111.852 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -63.2 -41.98 99.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.656 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -81.44 -45.5 15.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.876 -0.73 . . . . 0.0 112.749 -178.684 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.794 ' C ' HD22 ' A' ' 41' ' ' LEU . 95.6 mt-10 -71.87 -35.51 69.8 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 119.18 -1.008 . . . . 0.0 111.785 -178.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.794 HD22 ' C ' ' A' ' 40' ' ' GLU . 4.3 mm? -125.23 61.48 1.2 Allowed 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.825 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 m -55.02 -32.74 62.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.239 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.71 -69.87 1.36 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.489 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -57.77 -41.74 82.61 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.754 HD22 ' HB2' ' A' ' 41' ' ' LEU . 3.6 mp -92.06 -3.08 56.23 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.7 t0 -26.3 97.48 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.278 0.561 . . . . 0.0 111.616 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' ASP . . . -65.28 -21.77 66.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.974 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -50.98 -36.63 40.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.362 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.5 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 73.8 mmtt -58.03 -37.41 74.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.578 ' CB ' ' HB2' ' A' ' 53' ' ' ALA . 89.9 m-20 -140.55 98.57 3.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.943 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.1 t -62.37 -40.9 89.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.439 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 49.0 p30 -89.14 5.36 44.98 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.578 ' HB2' ' CB ' ' A' ' 50' ' ' ASP . . . -63.15 -32.26 73.61 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.595 HG21 ' HD3' ' A' ' 34' ' ' LYS . 75.7 t -59.9 -45.05 95.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.436 -178.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -62.09 -42.21 98.98 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.606 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -62.3 -39.93 94.61 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.033 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 53' ' ' ALA . 70.8 t -66.39 -45.9 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.103 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.431 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 2.6 ppp? -66.95 -36.25 81.8 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.343 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.431 ' N ' ' HG3' ' A' ' 58' ' ' MET . 81.6 tttt -58.61 -41.49 85.99 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.393 -178.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.15 -39.04 92.45 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.029 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.012 HD11 HD22 ' A' ' 77' ' ' LEU . 46.6 mt -68.12 -35.74 78.62 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 120.971 0.415 . . . . 0.0 110.819 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 98.7 m-20 -91.43 32.17 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.976 -179.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.99 -29.87 44.84 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.409 176.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.516 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 13.1 m120 -51.75 -32.95 32.78 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.48 -1.236 . . . . 0.0 109.404 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.07 1.81 61.12 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.7 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.0 p30 -61.64 -35.98 79.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.765 -0.718 . . . . 0.0 111.531 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.7 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 90.01 -6.65 82.63 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 79.8 tt0 -122.77 148.32 45.49 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.75 128.67 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 119.804 -0.758 . . . . 0.0 110.665 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -87.36 134.22 33.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.475 -1.238 . . . . 0.0 110.666 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.452 ' CD1' ' CE2' ' A' ' 15' ' ' PHE . 88.6 t80 -50.45 -39.17 46.97 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.914 -0.714 . . . . 0.0 110.296 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.502 ' O ' HG12 ' A' ' 75' ' ' VAL . 63.3 tt0 -55.98 -41.0 74.11 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.519 -0.873 . . . . 0.0 109.543 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.516 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.4 mt-10 -68.11 -39.74 82.71 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.093 0.473 . . . . 0.0 110.8 178.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.493 ' CE2' HG11 ' A' ' 78' ' ' VAL . 85.8 t80 -65.27 -43.37 91.48 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.564 HG22 ' HB1' ' B' ' 79' ' ' ALA . 5.5 p -56.68 -36.41 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.749 -178.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.44 HG13 HG13 ' B' ' 76' ' ' VAL . 70.3 t -66.71 -41.39 87.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.056 178.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.012 HD22 HD11 ' A' ' 61' ' ' LEU . 35.9 tp -61.3 -42.48 98.72 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.355 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 82' ' ' THR . 23.0 m -71.55 -33.68 50.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 119.203 -0.999 . . . . 0.0 110.544 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.915 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -60.98 -45.85 93.13 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.684 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.52 76.48 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.591 HD21 HD11 ' A' ' 45' ' ' LEU . 26.1 tp -60.7 -38.63 85.65 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.67 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 78' ' ' VAL . 11.6 p -58.17 -40.19 80.83 Favored 'General case' 0 CA--C 1.501 -0.927 0 C-N-CA 119.547 -0.861 . . . . 0.0 109.018 -178.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.1 t -63.84 -41.08 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.293 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.129 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.48 -34.16 77.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.58 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -34.36 73.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.961 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.766 HD21 HD13 ' B' ' 12' ' ' ILE . 24.5 m120 -56.08 -34.12 65.67 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.492 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 CA--C 1.516 -0.349 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.833 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 120.91 0.386 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.36 -34.43 75.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.775 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.455 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 41.2 tp -57.81 -41.07 81.44 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.71 -40.84 93.77 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.008 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 49.8 m -65.61 -37.46 86.67 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.122 177.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.08 -49.05 73.8 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.836 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 56.2 mtm -59.17 -40.96 87.26 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 118.711 -1.196 . . . . 0.0 109.759 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.583 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.8 mt-10 -67.14 -37.37 83.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.837 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.475 ' O ' HG23 ' B' ' 14' ' ' VAL . 47.3 m -62.22 -43.68 98.28 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.76 -44.53 96.71 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.766 HD13 HD21 ' A' ' 86' ' ' ASN . 78.6 mt -65.65 -43.62 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.026 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.583 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 85.5 m-20 -60.43 -40.14 89.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 10' ' ' THR . 70.7 t -66.56 -42.84 90.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.472 0.654 . . . . 0.0 109.672 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.446 ' CE2' ' CD1' ' B' ' 71' ' ' PHE . 4.6 t80 -62.11 -51.78 66.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.606 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.45 -38.2 88.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.701 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.26 95.96 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -176.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.425 ' ND1' HD21 ' B' ' 36' ' ' LEU . 63.7 m170 -99.49 -28.37 13.28 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.3 t -58.46 -37.8 76.21 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.256 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.75 -28.44 65.61 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-N 115.893 -0.594 . . . . 0.0 113.122 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -56.69 -40.27 75.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 117.454 0.627 . . . . 0.0 112.119 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.538 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.7 mm-40 -140.54 138.92 34.89 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.226 -0.589 . . . . 0.0 111.06 178.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.01 -163.77 53.85 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.83 144.31 47.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.766 0.317 . . . . 0.0 110.355 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.479 ' O ' ' OG ' ' B' ' 19' ' ' SER . 86.4 mttt -59.36 -38.37 80.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 122.421 1.105 . . . . 0.0 108.822 179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.512 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 69.3 m-85 -69.57 -25.47 64.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 112.927 -1.942 . . . . 0.0 113.108 -177.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.467 ' CB ' ' OE2' ' B' ' 68' ' ' GLU . 16.1 mmtm -114.02 141.98 46.75 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' B' ' 28' ' ' LEU . 86.4 mt -100.44 139.75 35.67 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.946 175.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.7 t -100.58 156.18 17.45 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -50.85 -38.89 51.91 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.145 -1.022 . . . . 0.0 108.812 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -61.65 -51.59 67.85 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 119.915 -0.714 . . . . 0.0 112.139 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.538 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.9 mt-10 -64.95 -41.05 95.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.411 -176.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.429 ' O ' HD13 ' B' ' 37' ' ' LEU . 8.2 tt -64.18 -42.82 96.52 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.553 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.594 ' HD3' HG21 ' B' ' 54' ' ' VAL . 9.6 tptp -60.9 -46.67 89.7 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 114.552 -1.204 . . . . 0.0 112.209 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.498 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -67.83 -37.51 82.0 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.613 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.425 HD21 ' ND1' ' B' ' 18' ' ' HIS . 19.0 mt -64.86 -47.94 76.1 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 119.402 -0.919 . . . . 0.0 112.08 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.519 ' CB ' HD23 ' B' ' 45' ' ' LEU . 7.0 mp -71.7 -47.38 54.46 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.369 -0.932 . . . . 0.0 111.888 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -63.18 -42.08 99.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.637 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.498 HG22 ' O ' ' B' ' 35' ' ' GLU . 0.7 OUTLIER -81.25 -45.64 15.98 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.906 -0.718 . . . . 0.0 112.774 -178.674 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.803 ' C ' HD22 ' B' ' 41' ' ' LEU . 95.7 mt-10 -71.88 -35.5 69.78 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 119.138 -1.025 . . . . 0.0 111.747 -178.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.803 HD22 ' C ' ' B' ' 40' ' ' GLU . 4.3 mm? -125.24 61.51 1.2 Allowed 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.878 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.9 m -55.01 -32.71 62.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.25 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.76 -69.87 1.36 Allowed Glycine 0 CA--C 1.531 1.088 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.415 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -57.86 -41.6 82.77 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.745 HD22 ' HB2' ' B' ' 41' ' ' LEU . 3.6 mp -92.19 -3.06 56.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.7 t0 -26.24 97.46 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.351 0.596 . . . . 0.0 111.627 -178.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' B' ' 50' ' ' ASP . . . -65.29 -21.77 66.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.051 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -50.94 -36.67 39.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.347 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.507 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 73.8 mmtt -58.01 -37.44 74.29 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.576 ' CB ' ' HB2' ' B' ' 53' ' ' ALA . 89.9 m-20 -140.56 98.57 3.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.857 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.32 -40.95 89.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' B' ' 52' ' ' ASP . 48.9 p30 -89.08 5.26 45.3 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.576 ' HB2' ' CB ' ' B' ' 50' ' ' ASP . . . -63.04 -32.36 73.71 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.995 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.594 HG21 ' HD3' ' B' ' 34' ' ' LYS . 75.4 t -59.94 -44.96 95.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.421 -178.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -62.09 -42.3 99.07 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.166 -0.613 . . . . 0.0 110.547 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -62.28 -39.89 94.42 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.082 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 53' ' ' ALA . 70.6 t -66.41 -45.88 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.111 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.425 ' HG3' ' N ' ' B' ' 59' ' ' LYS . 2.6 ppp? -66.96 -36.16 81.59 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.36 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' B' ' 58' ' ' MET . 81.6 tttt -58.66 -41.51 86.27 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.431 -179.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.12 -39.03 92.5 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.063 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.983 HD11 HD22 ' B' ' 77' ' ' LEU . 46.8 mt -68.08 -35.79 78.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.929 0.395 . . . . 0.0 110.839 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 98.6 m-20 -91.42 32.23 1.08 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.012 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.02 -29.87 45.25 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.392 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.513 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 13.2 m120 -51.8 -32.91 33.22 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.38 -177.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.04 1.82 61.15 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 108.755 -1.738 . . . . 0.0 108.755 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.695 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.1 p30 -61.65 -35.98 79.51 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.784 -0.708 . . . . 0.0 111.478 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.695 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 89.97 -6.67 82.65 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 79.9 tt0 -122.77 148.26 45.56 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.4 t -100.72 128.69 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.707 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -87.39 134.23 33.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.676 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.446 ' CD1' ' CE2' ' B' ' 15' ' ' PHE . 88.7 t80 -50.45 -39.23 47.14 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.941 -0.703 . . . . 0.0 110.282 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.508 ' O ' HG12 ' B' ' 75' ' ' VAL . 63.3 tt0 -55.9 -41.03 73.9 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.542 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.513 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.4 mt-10 -68.1 -39.78 82.74 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.068 0.461 . . . . 0.0 110.764 178.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.497 ' CE2' HG11 ' B' ' 78' ' ' VAL . 85.9 t80 -65.25 -43.41 91.44 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.542 HG22 ' HB1' ' A' ' 79' ' ' ALA . 5.5 p -56.6 -36.5 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.709 -178.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.44 HG13 HG13 ' A' ' 76' ' ' VAL . 70.8 t -66.61 -41.5 88.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.124 178.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.983 HD22 HD11 ' B' ' 61' ' ' LEU . 35.8 tp -61.29 -42.44 98.64 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.391 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.61 ' O ' HG23 ' B' ' 82' ' ' THR . 23.1 m -71.52 -33.65 50.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.6 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.915 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -60.96 -45.86 93.06 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.688 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.17 -34.52 76.46 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.591 HD21 HD11 ' B' ' 45' ' ' LEU . 26.1 tp -60.69 -38.57 85.42 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.718 -178.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.61 HG23 ' O ' ' B' ' 78' ' ' VAL . 11.6 p -58.2 -40.2 80.98 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 119.564 -0.854 . . . . 0.0 109.013 -178.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.88 -40.96 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.106 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.58 -34.12 77.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.537 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -34.31 73.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.955 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.785 HD21 HD13 ' A' ' 12' ' ' ILE . 24.6 m120 -56.08 -34.07 65.64 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.519 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 CA--C 1.515 -0.382 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.533 -179.89 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.725 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p -69.67 161.87 28.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.703 0.287 . . . . 0.0 110.582 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -62.1 -35.61 79.24 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.686 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.532 HD22 ' OE1' ' B' ' 40' ' ' GLU . 33.5 tp -58.67 -39.37 80.48 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.794 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.4 -40.63 87.23 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 119.709 -0.796 . . . . 0.0 109.117 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.0 m -65.29 -39.11 92.11 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.181 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.53 93.39 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.682 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.445 ' SD ' HD21 ' B' ' 41' ' ' LEU . 54.3 mtm -57.99 -40.3 80.37 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 118.573 -1.251 . . . . 0.0 108.375 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.594 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.7 mt-10 -66.7 -36.16 81.85 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.234 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.2 m -61.11 -43.41 98.93 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.364 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.37 -45.61 92.89 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.46 0.648 . . . . 0.0 111.07 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.7 mt -68.14 -41.41 84.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.973 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.594 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 86.7 m-20 -60.1 -40.57 90.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.472 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 m -74.9 -38.02 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.619 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CE2' ' O ' ' A' ' 25' ' ' LYS . 90.5 t80 -60.29 -45.31 93.81 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.195 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.92 -44.32 91.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.467 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.04 -51.65 36.78 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.826 ' CB ' HD21 ' A' ' 36' ' ' LEU . 90.9 m-70 -65.47 -48.42 72.74 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.3 m -59.55 -34.97 73.35 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.44 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.34 -27.35 60.47 Favored Glycine 0 CA--C 1.524 0.595 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.656 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -55.76 -38.94 70.53 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 119.996 -0.681 . . . . 0.0 110.887 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.487 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 94.5 mt-10 -140.06 142.83 36.14 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.378 0.609 . . . . 0.0 111.911 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.81 -148.24 45.57 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.437 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -83.51 133.24 34.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.53 -0.835 . . . . 0.0 111.28 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.582 ' O ' ' CE2' ' A' ' 15' ' ' PHE . 67.6 mttm -56.28 -38.86 71.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.738 0.78 . . . . 0.0 109.363 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.579 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 m-30 -71.56 -19.33 62.17 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.875 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.598 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 39.2 tptt -112.29 134.18 53.98 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.456 HD23 ' HB2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -101.83 130.63 48.32 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.755 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.8 p -100.52 160.01 14.69 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -56.4 -40.65 75.0 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.215 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.84 -49.15 78.64 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 119.073 -1.051 . . . . 0.0 110.589 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.487 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 98.4 mt-10 -62.61 -38.38 89.95 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.435 -177.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.29 -44.91 95.44 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.221 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.564 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 4.9 tptp -60.31 -42.28 95.22 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.812 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' HG22 ' A' ' 39' ' ' THR . 78.3 mm-40 -70.26 -38.88 75.21 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.384 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.826 HD21 ' CB ' ' A' ' 18' ' ' HIS . 93.6 mt -66.36 -48.15 71.12 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.53 -0.868 . . . . 0.0 112.006 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.419 ' HB3' HD23 ' A' ' 45' ' ' LEU . 62.7 mt -68.85 -44.07 74.12 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 118.94 -1.104 . . . . 0.0 110.792 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.564 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.3 tt0 -64.38 -42.24 96.25 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.486 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.4 t -83.46 -46.62 12.28 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.419 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.661 ' C ' HD12 ' A' ' 41' ' ' LEU . 96.5 mt-10 -73.16 -34.23 65.92 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 119.771 -0.772 . . . . 0.0 111.637 -178.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.661 HD12 ' C ' ' A' ' 40' ' ' GLU . 7.7 mp -123.23 48.16 1.87 Allowed 'General case' 0 C--O 1.236 0.392 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.613 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.8 m -54.29 -33.72 59.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.898 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.77 -65.88 1.53 Allowed Glycine 0 CA--C 1.531 1.085 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.461 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -58.45 -43.56 88.87 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.677 ' O ' ' N ' ' A' ' 47' ' ' ALA . 8.8 mp -96.36 -1.33 47.94 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.542 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 56.0 p30 -18.92 76.56 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.977 0.894 . . . . 0.0 112.668 -177.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -65.44 -20.15 66.24 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.474 -1.239 . . . . 0.0 111.347 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.43 HE21 HE21 ' A' ' 38' ' ' GLN . 95.6 mt-30 -54.3 -35.94 63.17 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.149 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 13.4 mtpp -59.54 -35.52 74.36 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.81 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.8 m-20 -140.08 91.32 2.45 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.658 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.51 -39.5 83.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.035 0.445 . . . . 0.0 110.553 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -55.89 -33.14 64.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.88 -28.88 64.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.089 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.71 -44.18 80.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.54 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 58' ' ' MET . 90.2 m-20 -61.63 -40.79 96.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.492 0.663 . . . . 0.0 110.196 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -60.74 -39.94 90.53 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.033 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.9 t -67.29 -44.92 87.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.077 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.532 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 ppp? -62.99 -37.14 85.97 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 58' ' ' MET . 49.0 tptt -57.74 -41.47 81.95 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.239 -178.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.99 -37.13 85.15 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.574 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.714 HD21 HD22 ' A' ' 77' ' ' LEU . 82.8 mt -67.02 -37.95 85.06 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.493 ' OD1' ' OD1' ' A' ' 66' ' ' ASP . 39.8 t0 -78.32 86.12 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.135 -1.026 . . . . 0.0 112.138 -178.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -66.68 -38.85 87.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.881 0.848 . . . . 0.0 109.323 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -59.08 -36.93 75.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.048 -1.433 . . . . 0.0 112.064 -178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.6 4.07 70.7 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 108.255 -1.938 . . . . 0.0 108.255 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.664 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.8 p30 -62.17 -33.11 73.89 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 114.228 -0.986 . . . . 0.0 112.48 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.664 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.83 -5.17 59.66 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 82.8 tt0 -117.33 145.29 44.12 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.9 t -104.72 134.47 46.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.53 0.681 . . . . 0.0 112.8 -176.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.598 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 82.0 m-20 -99.62 152.27 20.24 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.985 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.512 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 77.6 t80 -54.84 -39.59 68.73 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.043 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.422 ' O ' HG22 ' A' ' 75' ' ' VAL . 63.2 tt0 -56.29 -40.59 74.55 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.199 -0.601 . . . . 0.0 109.88 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.67 -40.22 84.44 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.414 0.626 . . . . 0.0 110.237 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -63.67 -42.51 98.03 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 78' ' ' VAL . 29.9 m -63.83 -36.29 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.009 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.0 t -63.44 -45.37 98.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 119.113 -1.035 . . . . 0.0 110.575 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.714 HD22 HD21 ' A' ' 61' ' ' LEU . 26.7 tp -67.82 -40.84 83.75 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.6 p -57.43 -35.46 49.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.401 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' B' ' 75' ' ' VAL . . . -60.53 -38.73 85.38 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.818 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.67 -41.43 75.51 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.84 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.617 HD13 HD21 ' A' ' 45' ' ' LEU . 73.1 mt -63.31 -39.01 93.38 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -59.38 -42.93 92.82 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 118.746 -1.181 . . . . 0.0 109.779 -179.46 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.91 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.875 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.71 -31.62 72.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.051 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -57.15 -35.7 69.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.407 -179.847 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.444 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 86.3 m-20 -56.64 -34.46 67.32 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.712 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -54.63 -38.98 67.49 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.084 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -60.06 -44.4 94.74 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.4 -41.14 88.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.073 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.43 ' N ' ' CD1' ' A' ' 90' ' ' TRP . 39.5 m0 -55.16 -33.86 63.32 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.643 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.65 -33.4 66.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.572 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -55.07 -36.63 65.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.603 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.586 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.9 p -69.7 161.85 28.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.666 0.269 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -62.05 -35.52 78.86 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.773 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.533 HD22 ' OE1' ' A' ' 40' ' ' GLU . 33.8 tp -58.76 -39.31 80.6 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.806 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.44 -40.57 87.21 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 119.691 -0.803 . . . . 0.0 109.183 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -65.23 -39.21 92.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.165 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.46 93.56 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.725 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.44 ' SD ' HD21 ' A' ' 41' ' ' LEU . 54.3 mtm -57.85 -40.41 80.07 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 118.596 -1.242 . . . . 0.0 108.443 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.585 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.7 mt-10 -66.63 -36.25 82.12 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.204 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 48.8 m -60.99 -43.53 98.73 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.353 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.27 -45.76 92.18 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.527 0.68 . . . . 0.0 111.016 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.04 -41.35 84.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.086 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 86.7 m-20 -60.14 -40.56 90.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.431 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 m -74.96 -38.0 42.42 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.574 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' B' ' 25' ' ' LYS . 90.3 t80 -60.24 -45.28 93.81 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.97 -44.25 91.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.49 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.09 -51.6 37.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.821 ' CB ' HD21 ' B' ' 36' ' ' LEU . 90.8 m-70 -65.45 -48.5 72.49 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.9 m -59.51 -35.0 73.33 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.44 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.32 -27.35 60.4 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.651 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -55.71 -39.05 70.54 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.894 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.482 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 94.6 mt-10 -139.94 142.88 36.37 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.904 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.76 -148.18 45.49 Favored Glycine 0 CA--C 1.524 0.618 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.374 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -83.57 133.19 34.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.484 -0.858 . . . . 0.0 111.26 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.585 ' O ' ' CE2' ' B' ' 15' ' ' PHE . 67.6 mttm -56.17 -38.93 71.57 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.829 0.823 . . . . 0.0 109.376 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.2 m-30 -71.51 -19.37 62.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 113.947 -1.479 . . . . 0.0 111.908 -176.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.606 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 39.1 tptt -112.25 134.08 54.0 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' B' ' 32' ' ' GLU . 0.6 OUTLIER -101.83 130.58 48.31 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -178.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 82.7 p -100.44 160.06 14.64 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -56.45 -40.68 75.22 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.196 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.79 -49.19 78.47 Favored 'General case' 0 CA--C 1.507 -0.677 0 C-N-CA 119.071 -1.052 . . . . 0.0 110.639 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.482 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 98.4 mt-10 -62.64 -38.21 89.37 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.466 -177.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 65.4 tp -62.3 -44.93 95.39 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.549 0.69 . . . . 0.0 111.287 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.592 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 4.9 tptp -60.32 -42.26 95.25 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.808 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.433 ' O ' HG22 ' B' ' 39' ' ' THR . 78.3 mm-40 -70.25 -38.9 75.25 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.408 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.821 HD21 ' CB ' ' B' ' 18' ' ' HIS . 93.7 mt -66.38 -48.13 71.15 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 119.468 -0.893 . . . . 0.0 111.999 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.433 ' HB3' HD23 ' B' ' 45' ' ' LEU . 63.2 mt -68.8 -44.09 74.29 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.01 -1.076 . . . . 0.0 110.761 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.592 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.4 tt0 -64.43 -42.22 96.14 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.4 t -83.51 -46.59 12.28 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.417 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.658 ' C ' HD12 ' B' ' 41' ' ' LEU . 96.5 mt-10 -73.18 -34.22 65.88 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.657 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.658 HD12 ' C ' ' B' ' 40' ' ' GLU . 7.7 mp -123.29 48.26 1.86 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.666 0.27 . . . . 0.0 110.619 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 19.9 m -54.5 -33.51 59.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.901 -178.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.8 -65.83 1.53 Allowed Glycine 0 CA--C 1.53 1.011 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.53 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -58.44 -43.63 88.85 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.675 ' O ' ' N ' ' B' ' 47' ' ' ALA . 8.8 mp -96.36 -1.38 47.83 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.54 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 56.2 p30 -18.9 76.67 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.95 0.881 . . . . 0.0 112.611 -177.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.675 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -65.55 -20.03 66.16 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-N 114.424 -1.262 . . . . 0.0 111.413 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.425 HE21 HE21 ' B' ' 38' ' ' GLN . 95.6 mt-30 -54.34 -35.93 63.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.093 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.503 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 13.4 mtpp -59.55 -35.46 74.28 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.822 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.503 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 91.7 m-20 -140.18 91.39 2.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.651 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.64 -39.53 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.05 0.453 . . . . 0.0 110.499 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -55.71 -33.28 64.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.91 -28.8 64.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.133 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.75 -44.09 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.628 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' B' ' 58' ' ' MET . 90.0 m-20 -61.76 -40.64 95.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.497 0.665 . . . . 0.0 110.275 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -60.77 -39.88 90.47 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.053 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.39 -44.84 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.028 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.537 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -63.0 -37.24 86.4 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.46 ' N ' ' HG3' ' B' ' 58' ' ' MET . 49.0 tptt -57.71 -41.45 81.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.262 -178.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.92 -37.15 85.31 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.656 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.701 HD21 HD22 ' B' ' 77' ' ' LEU . 82.6 mt -67.07 -37.91 84.84 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.474 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 39.9 t0 -78.31 86.12 4.41 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.167 -1.013 . . . . 0.0 112.137 -178.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -66.68 -38.85 87.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.85 0.833 . . . . 0.0 109.274 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -59.14 -36.93 76.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.059 -1.428 . . . . 0.0 112.116 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.62 4.12 70.59 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 108.193 -1.963 . . . . 0.0 108.193 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.659 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.0 p30 -62.27 -33.03 73.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 114.337 -0.932 . . . . 0.0 112.472 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.659 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.85 -5.21 59.64 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.419 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 82.6 tt0 -117.28 145.29 44.06 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.2 t -104.76 134.51 45.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.51 0.671 . . . . 0.0 112.803 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.606 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 81.9 m-20 -99.62 152.32 20.19 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.931 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.508 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 77.9 t80 -54.83 -39.66 68.79 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.072 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.421 ' O ' HG22 ' B' ' 75' ' ' VAL . 63.2 tt0 -56.23 -40.66 74.46 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.875 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.64 -40.26 84.57 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.429 0.633 . . . . 0.0 110.238 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -63.68 -42.41 98.04 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.495 ' O ' HG12 ' B' ' 78' ' ' VAL . 30.3 m -63.9 -36.3 76.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.433 -0.507 . . . . 0.0 112.019 -177.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.1 t -63.5 -45.28 98.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 C-N-CA 119.138 -1.025 . . . . 0.0 110.561 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.701 HD22 HD21 ' B' ' 61' ' ' LEU . 27.0 tp -67.92 -40.9 83.31 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.495 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.5 p -57.38 -35.51 49.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.459 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' A' ' 75' ' ' VAL . . . -60.45 -38.76 85.19 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.475 -0.49 . . . . 0.0 109.868 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.55 -41.49 75.83 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.888 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.615 HD13 HD21 ' B' ' 45' ' ' LEU . 73.1 mt -63.37 -39.03 93.41 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.561 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.0 OUTLIER -59.29 -42.99 92.57 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 118.782 -1.167 . . . . 0.0 109.797 -179.539 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 93.6 t -64.01 -40.44 89.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.829 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.82 -31.52 72.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.037 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -57.13 -35.77 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.462 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.439 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 86.0 m-20 -56.49 -34.59 67.08 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.739 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -54.69 -38.96 67.63 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.062 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.01 -44.44 94.58 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -59.5 -41.13 89.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.982 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.441 ' N ' ' CD1' ' B' ' 90' ' ' TRP . 39.3 m0 -55.09 -33.97 63.25 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.64 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.58 -33.33 66.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -55.08 -36.75 65.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.537 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.582 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t -118.54 136.38 53.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.561 0.219 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -64.59 -38.39 90.84 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.528 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.9 -40.03 94.05 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.905 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.58 -40.63 95.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.5 m -64.84 -37.96 89.38 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.636 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.53 -49.25 72.0 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.593 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.4 mtm -59.41 -41.03 88.52 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.496 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.592 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.9 mt-10 -66.98 -37.49 84.33 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.971 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.3 m -62.06 -45.17 94.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.76 -47.47 86.16 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 119.626 -0.829 . . . . 0.0 110.74 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.408 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 86.7 mt -60.96 -42.79 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.42 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 86.9 m-20 -61.96 -39.79 93.33 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.509 -0.477 . . . . 0.0 111.857 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -69.36 -51.19 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.988 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.495 ' HD1' HD13 ' A' ' 36' ' ' LEU . 81.3 m-85 -68.46 -44.99 73.64 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.7 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.408 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 84.5 t60 -61.31 -39.7 91.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.063 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 13' ' ' ASN . . . -61.08 -42.3 98.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.732 -177.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.754 ' HB2' HD21 ' A' ' 36' ' ' LEU . 98.3 m-70 -88.1 -26.99 22.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.544 ' OG ' HD21 ' A' ' 28' ' ' LEU . 19.3 m -57.96 -37.0 73.37 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.772 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.53 -30.09 67.86 Favored Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.997 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -56.65 -38.1 71.7 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.202 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -135.43 142.75 45.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.325 0.583 . . . . 0.0 111.875 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.38 -142.93 42.18 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 115.428 -0.806 . . . . 0.0 113.211 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -83.92 132.72 34.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.417 -0.891 . . . . 0.0 111.969 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -56.0 -38.16 70.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.646 0.736 . . . . 0.0 110.291 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.583 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 m-30 -70.9 -21.23 62.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.368 -1.287 . . . . 0.0 112.302 -176.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -112.3 140.05 47.34 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.544 HD21 ' OG ' ' A' ' 19' ' ' SER . 78.3 mt -102.1 133.78 46.4 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 174.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -101.51 163.19 12.39 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.552 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 76.6 tttt -51.6 -39.77 58.58 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.227 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -62.47 -52.09 64.9 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.015 -0.674 . . . . 0.0 112.338 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.99 -41.12 97.61 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.03 -176.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.27 -41.86 96.72 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.584 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.612 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 2.8 tptp -61.07 -46.84 89.01 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 114.959 -1.018 . . . . 0.0 111.86 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 39' ' ' THR . 77.8 mm-40 -69.47 -38.17 77.6 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.384 -0.526 . . . . 0.0 111.981 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.754 HD21 ' HB2' ' A' ' 18' ' ' HIS . 45.7 mt -64.93 -47.13 78.79 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.059 -0.656 . . . . 0.0 112.188 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.43 ' HB3' HD13 ' A' ' 45' ' ' LEU . 10.8 mp -72.12 -47.92 47.6 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.958 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.612 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 64.5 tt0 -62.85 -43.14 99.6 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -81.12 -44.26 18.19 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.372 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.412 ' N ' ' CG2' ' A' ' 39' ' ' THR . 76.5 mm-40 -71.67 -35.5 70.33 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 118.895 -1.122 . . . . 0.0 111.15 -178.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.8 mt -123.74 62.67 1.06 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.785 0.326 . . . . 0.0 110.493 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.1 p -59.61 -25.46 64.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.627 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.61 -70.44 1.33 Allowed Glycine 0 CA--C 1.528 0.889 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.571 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.447 ' CE1' ' HA ' ' A' ' 85' ' ' CYS . 81.8 t80 -57.49 -43.45 84.13 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.519 ' O ' ' C ' ' A' ' 46' ' ' ASP . 77.9 mt -92.41 -1.46 56.99 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.519 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.2 t0 -26.21 102.7 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.442 0.639 . . . . 0.0 111.199 -178.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.44 -22.38 66.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.914 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -55.26 -35.67 65.25 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.528 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.509 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 52.3 mtmt -59.19 -37.52 77.62 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.456 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.555 ' CB ' ' HB2' ' A' ' 53' ' ' ALA . 93.7 m-20 -142.16 100.86 3.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.935 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.4 t -62.48 -41.15 90.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 48.9 p30 -88.87 4.75 46.74 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HB2' ' CB ' ' A' ' 50' ' ' ASP . . . -63.67 -31.23 72.33 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.209 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.21 -43.54 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.793 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.552 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 88.1 m-20 -61.33 -43.13 99.39 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.831 -0.748 . . . . 0.0 110.36 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -62.42 -40.18 95.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.739 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 53' ' ' ALA . 69.4 t -66.49 -46.77 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.306 -0.558 . . . . 0.0 112.322 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.519 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.4 ppp? -66.0 -37.48 86.04 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.622 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 58' ' ' MET . 48.8 tttm -57.77 -41.53 82.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.386 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.69 -37.17 85.73 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.943 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.696 HD21 HD22 ' A' ' 77' ' ' LEU . 90.0 mt -66.97 -38.82 86.77 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.565 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 46.7 t0 -77.8 81.02 4.24 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 118.821 -1.152 . . . . 0.0 111.296 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.77 -38.64 86.99 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.241 0.543 . . . . 0.0 111.661 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -58.92 -36.49 74.83 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.181 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.11 2.11 71.69 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 107.988 -2.045 . . . . 0.0 107.988 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.663 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 53.4 p30 -62.34 -32.43 73.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 113.938 -1.131 . . . . 0.0 112.072 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.663 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 99.05 -5.83 59.59 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.409 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 84.4 tt0 -111.22 141.02 45.29 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.9 t -105.85 132.38 53.01 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-O 121.253 0.549 . . . . 0.0 110.658 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.5 t0 -104.32 147.26 27.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.511 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.567 ' CE2' ' CG2' ' A' ' 75' ' ' VAL . 87.6 t80 -52.46 -39.0 60.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.882 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.556 ' HG2' HG11 ' B' ' 83' ' ' VAL . 94.3 mt-30 -59.18 -39.61 83.09 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.322 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.16 -41.5 85.92 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.619 0.723 . . . . 0.0 109.888 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.416 ' CE2' ' CZ ' ' A' ' 15' ' ' PHE . 89.8 t80 -64.94 -40.16 94.61 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.968 HG12 ' HB1' ' B' ' 79' ' ' ALA . 75.9 t -58.4 -40.61 78.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.123 -0.631 . . . . 0.0 112.104 -176.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.59 -43.95 95.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 118.945 -1.102 . . . . 0.0 110.455 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.696 HD22 HD21 ' A' ' 61' ' ' LEU . 26.9 tp -66.07 -41.06 91.26 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 75' ' ' VAL . 2.8 p -59.04 -33.11 49.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 119.911 -0.715 . . . . 0.0 110.696 -177.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.948 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -59.6 -41.7 90.9 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.144 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.1 -40.05 78.62 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.877 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.15 -39.03 93.14 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.483 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.2 t -60.13 -41.72 93.3 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.765 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.563 HG11 ' HG2' ' B' ' 72' ' ' GLN . 92.6 t -61.86 -41.22 89.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.12 82.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.521 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.6 OUTLIER -60.59 -33.56 72.91 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.578 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 19.3 t-20 -54.89 -37.18 65.98 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.101 0.477 . . . . 0.0 110.62 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -53.11 -38.47 62.64 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -59.16 -42.62 91.16 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -58.54 -44.9 89.76 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.61 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.578 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 88.6 m95 -58.21 -34.12 70.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.708 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.82 -32.16 71.55 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.688 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -55.13 -34.35 63.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.576 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.554 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.73 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.7 t -118.49 136.43 53.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.566 0.222 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.69 -38.32 90.61 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.474 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.9 -40.07 94.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.939 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.56 -40.65 95.47 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 37.0 m -64.78 -38.0 89.5 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.673 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.21 72.23 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.633 -178.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.3 mtm -59.47 -41.01 88.76 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.407 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.597 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.9 mt-10 -67.04 -37.48 84.16 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.895 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.7 m -62.14 -45.08 95.04 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.62 -47.62 85.42 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 119.579 -0.848 . . . . 0.0 110.739 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' B' ' 16' ' ' HIS . 86.5 mt -60.86 -42.82 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.492 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.597 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 86.9 m-20 -61.88 -39.9 93.52 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.541 -0.463 . . . . 0.0 111.841 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 87.8 t -69.34 -51.19 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 120.045 -0.662 . . . . 0.0 111.997 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.498 ' HD1' HD13 ' B' ' 36' ' ' LEU . 81.3 m-85 -68.45 -44.95 73.77 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 119.611 -0.835 . . . . 0.0 111.675 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.409 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 84.4 t60 -61.22 -39.83 91.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.07 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' B' ' 13' ' ' ASN . . . -61.01 -42.28 98.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.803 -177.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.753 ' HB2' HD21 ' B' ' 36' ' ' LEU . 98.3 m-70 -88.11 -27.02 22.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.545 ' OG ' HD21 ' B' ' 28' ' ' LEU . 19.5 m -58.0 -37.02 73.5 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.745 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.47 -30.09 67.67 Favored Glycine 0 CA--C 1.524 0.616 0 CA-C-N 115.61 -0.723 . . . . 0.0 113.011 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -56.65 -38.12 71.73 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.236 -178.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -135.37 142.76 45.77 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.866 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.44 -142.92 42.35 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 115.457 -0.792 . . . . 0.0 113.149 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -84.01 132.68 34.72 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.365 -0.917 . . . . 0.0 111.891 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -55.92 -38.2 69.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.664 0.745 . . . . 0.0 110.311 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.594 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.2 m-30 -70.93 -21.22 62.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.32 -1.309 . . . . 0.0 112.263 -176.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -112.36 140.05 47.41 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.545 HD21 ' OG ' ' B' ' 19' ' ' SER . 77.9 mt -102.06 133.77 46.36 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 174.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -101.5 163.22 12.38 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.581 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 76.7 tttt -51.6 -39.81 58.67 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 118.987 -1.085 . . . . 0.0 109.235 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -62.43 -52.11 64.86 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 119.968 -0.693 . . . . 0.0 112.371 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.95 -41.14 97.67 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.039 -176.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.23 -41.92 96.79 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.56 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.591 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 2.9 tptp -61.04 -46.78 89.31 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.877 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.506 ' O ' HG22 ' B' ' 39' ' ' THR . 77.8 mm-40 -69.5 -38.15 77.49 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.037 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.753 HD21 ' HB2' ' B' ' 18' ' ' HIS . 45.7 mt -64.9 -47.21 78.6 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.228 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.434 ' HB3' HD13 ' B' ' 45' ' ' LEU . 10.8 mp -72.02 -48.02 47.6 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.806 -0.758 . . . . 0.0 111.947 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.591 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.5 tt0 -62.85 -43.08 99.75 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.506 HG22 ' O ' ' B' ' 35' ' ' GLU . 0.7 OUTLIER -81.15 -44.11 18.37 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.379 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.426 ' N ' ' CG2' ' B' ' 39' ' ' THR . 76.4 mm-40 -71.78 -35.51 70.06 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 118.888 -1.125 . . . . 0.0 111.133 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -123.69 62.78 1.05 Allowed 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.718 0.295 . . . . 0.0 110.482 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -59.7 -25.42 64.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.637 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.68 -70.45 1.33 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.496 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' B' ' 85' ' ' CYS . 81.9 t80 -57.4 -43.6 83.82 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' B' ' 46' ' ' ASP . 77.8 mt -92.41 -1.32 57.09 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.529 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.2 t0 -26.26 102.69 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.431 0.634 . . . . 0.0 111.194 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.49 -22.34 66.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.885 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -55.31 -35.53 65.23 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.552 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.522 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 52.4 mtmt -59.32 -37.5 77.95 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.386 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.559 ' CB ' ' HB2' ' B' ' 53' ' ' ALA . 93.7 m-20 -142.18 100.84 3.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.973 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.54 -41.07 90.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.441 ' C ' ' OD1' ' B' ' 52' ' ' ASP . 49.0 p30 -88.91 4.82 46.64 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.559 ' HB2' ' CB ' ' B' ' 50' ' ' ASP . . . -63.64 -31.36 72.5 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.256 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.05 -43.67 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.806 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.581 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 87.8 m-20 -61.25 -43.15 99.35 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.415 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -62.35 -40.27 95.86 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.737 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 53' ' ' ALA . 69.5 t -66.44 -46.82 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 120.347 -0.541 . . . . 0.0 112.342 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.519 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.4 ppp? -66.03 -37.44 85.88 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.632 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -57.76 -41.6 82.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.362 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.69 -37.17 85.71 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.895 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.69 HD21 HD22 ' B' ' 77' ' ' LEU . 89.9 mt -66.91 -38.92 87.12 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.575 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 46.7 t0 -77.72 80.96 4.17 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 118.846 -1.142 . . . . 0.0 111.281 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.73 -38.6 86.99 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.32 0.581 . . . . 0.0 111.74 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -59.02 -36.46 74.99 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.25 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.14 2.12 71.59 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.663 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.4 p30 -62.31 -32.59 73.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.026 -1.087 . . . . 0.0 112.013 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.663 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 99.18 -5.88 59.42 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.47 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 84.3 tt0 -111.22 140.99 45.32 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -105.84 132.32 53.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 CA-C-O 121.35 0.595 . . . . 0.0 110.628 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.5 t0 -104.3 147.34 27.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.476 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.561 ' CE2' ' CG2' ' B' ' 75' ' ' VAL . 87.8 t80 -52.48 -39.06 60.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.894 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.563 ' HG2' HG11 ' A' ' 83' ' ' VAL . 94.3 mt-30 -59.11 -39.58 82.73 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.309 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.2 -41.53 85.66 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.561 0.696 . . . . 0.0 109.816 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.41 ' CE2' ' CZ ' ' B' ' 15' ' ' PHE . 89.9 t80 -64.89 -40.25 94.8 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.948 HG12 ' HB1' ' A' ' 79' ' ' ALA . 75.8 t -58.37 -40.65 78.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.239 -0.584 . . . . 0.0 112.062 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.57 -43.95 95.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 118.933 -1.107 . . . . 0.0 110.516 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.69 HD22 HD21 ' B' ' 61' ' ' LEU . 26.9 tp -66.16 -40.95 90.93 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.581 HG12 ' O ' ' B' ' 75' ' ' VAL . 2.8 p -59.11 -33.1 49.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.695 -177.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.968 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -59.62 -41.76 91.15 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.11 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.07 78.82 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 119.781 -0.768 . . . . 0.0 110.899 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.21 -38.99 93.03 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.504 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.2 t -60.12 -41.64 93.08 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.8 -179.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.556 HG11 ' HG2' ' A' ' 72' ' ' GLN . 91.5 t -61.9 -41.27 90.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.02 82.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.518 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.6 OUTLIER -60.65 -33.51 72.91 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.054 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.577 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 19.3 t-20 -54.87 -37.23 65.99 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.159 0.504 . . . . 0.0 110.639 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -53.09 -38.41 62.54 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -59.21 -42.64 91.45 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -58.47 -44.85 89.46 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.646 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.577 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 88.5 m95 -58.37 -34.02 70.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.694 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.75 -32.34 71.64 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.634 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -55.03 -34.4 63.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.56 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.577 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -62.83 154.35 30.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 110.57 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.33 -35.39 78.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.684 HD13 ' OE1' ' B' ' 40' ' ' GLU . 8.4 tt -59.99 -40.1 88.01 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.031 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.5 -40.18 90.41 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 119.441 -0.904 . . . . 0.0 108.598 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.2 m -64.8 -37.99 89.47 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.543 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.95 98.87 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.684 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.6 mtm -57.22 -40.51 77.68 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 118.013 -1.475 . . . . 0.0 108.199 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.515 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 98.0 mt-10 -67.04 -35.96 81.03 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.922 -1.036 . . . . 0.0 110.957 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.411 ' O ' HG13 ' A' ' 14' ' ' VAL . 45.9 m -62.16 -44.04 97.49 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.964 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' O ' HG22 ' A' ' 14' ' ' VAL . 82.6 mt -60.9 -45.36 94.91 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.812 0.815 . . . . 0.0 111.113 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -68.26 -40.67 82.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.822 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 2.3 m120 -60.16 -41.39 92.71 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.054 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 11' ' ' LEU . 25.5 m -74.16 -35.29 40.46 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.105 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.442 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.501 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 66.3 t80 -59.58 -48.36 81.98 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.316 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -61.42 -43.84 98.16 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.98 97.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.477 ' CB ' HD21 ' A' ' 36' ' ' LEU . 96.8 m-70 -90.53 -32.01 16.5 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.4 p -62.89 -31.29 72.31 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.932 -0.707 . . . . 0.0 111.621 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.16 -28.68 67.03 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 115.879 -0.6 . . . . 0.0 113.894 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.469 ' NZ ' ' O ' ' A' ' 18' ' ' HIS . 32.3 mtmm -57.02 -40.88 77.53 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -176.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.589 ' N ' ' OE2' ' A' ' 32' ' ' GLU . 94.5 mt-10 -141.71 150.65 42.11 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 119.894 -0.722 . . . . 0.0 112.67 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.38 -153.0 51.2 Favored Glycine 0 C--N 1.329 0.153 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -71.92 137.65 47.53 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -59.79 -39.4 84.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.862 0.839 . . . . 0.0 110.067 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 m-30 -71.34 -30.14 65.83 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.158 -1.383 . . . . 0.0 113.407 -175.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -120.73 154.19 35.96 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.206 0.527 . . . . 0.0 111.894 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.61 144.56 25.64 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.1 t -98.14 158.01 15.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.018 -1.446 . . . . 0.0 107.428 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -52.95 -42.01 65.06 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.208 -0.997 . . . . 0.0 110.67 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -61.02 -48.57 81.18 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.505 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.589 ' OE2' ' N ' ' A' ' 22' ' ' GLU . 97.2 mt-10 -62.37 -39.85 94.53 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.183 -176.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.83 -41.43 99.32 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.503 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.555 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 2.7 tptp -60.85 -45.53 94.16 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.724 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -66.97 -38.25 85.72 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 120.02 -0.672 . . . . 0.0 112.081 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.477 HD21 ' CB ' ' A' ' 18' ' ' HIS . 78.5 mt -66.83 -45.92 76.77 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.68 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.7 mt -68.44 -41.98 79.52 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 118.902 -1.119 . . . . 0.0 110.494 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.555 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.2 tt0 -63.4 -42.24 98.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.995 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 3.0 t -84.98 -45.57 12.05 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.164 -0.614 . . . . 0.0 112.386 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.684 ' OE1' HD13 ' B' ' 4' ' ' LEU . 97.0 mt-10 -71.96 -35.6 69.6 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.015 -178.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.6 mt -122.0 46.48 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.85 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -57.52 -25.41 59.81 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.86 -68.15 1.34 Allowed Glycine 0 CA--C 1.531 1.083 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.757 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -57.86 -43.78 86.18 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.524 ' O ' ' C ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -91.34 -2.49 57.34 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.524 ' C ' ' O ' ' A' ' 45' ' ' LEU . 59.9 t0 -25.01 112.37 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.542 0.687 . . . . 0.0 111.25 -177.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -27.31 69.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.02 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -56.3 -36.8 69.06 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.345 -178.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -60.85 -40.12 91.69 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.487 ' CG ' ' H ' ' A' ' 53' ' ' ALA . 66.0 t0 -156.86 95.06 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.104 -1.407 . . . . 0.0 111.455 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.91 -40.48 85.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -60.77 -28.35 68.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.561 -1.2 . . . . 0.0 112.465 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.487 ' H ' ' CG ' ' A' ' 50' ' ' ASP . . . -52.46 -32.01 37.62 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.582 -0.447 . . . . 0.0 112.129 -176.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.434 HG21 ' HD3' ' A' ' 34' ' ' LYS . 55.4 t -57.38 -46.69 85.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.336 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.71 -40.89 96.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.315 0.579 . . . . 0.0 110.867 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -59.59 -41.34 90.05 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.321 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.2 m -76.52 -37.76 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 119.568 -0.853 . . . . 0.0 111.826 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.524 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.7 ppp? -62.81 -38.82 92.2 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.616 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 58' ' ' MET . 47.3 mtpt -59.68 -38.79 82.5 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.956 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.9 -38.1 89.83 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.433 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.72 HD21 HD22 ' A' ' 77' ' ' LEU . 92.1 mt -67.26 -36.92 82.61 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.03 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.537 ' OD1' HG22 ' A' ' 69' ' ' VAL . 99.7 m-20 -92.91 35.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.448 -0.797 . . . . 0.0 112.887 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -51.03 -31.04 17.1 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 121.474 0.654 . . . . 0.0 109.272 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.556 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 10.7 m120 -52.71 -31.3 36.95 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.859 -178.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.96 4.33 56.74 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 108.152 -1.979 . . . . 0.0 108.152 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.586 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 54.1 p30 -90.13 126.58 35.85 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 122.245 1.022 . . . . 0.0 110.388 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -53.82 -25.3 29.43 Favored Glycine 0 C--N 1.306 -1.127 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.527 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -94.75 145.06 25.13 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.605 0.717 . . . . 0.0 110.781 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.537 HG22 ' OD1' ' A' ' 62' ' ' ASP . 58.3 t -102.54 131.75 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.201 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -83.89 142.61 30.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.418 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.617 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 40.0 t80 -56.05 -41.24 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.358 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -57.76 -41.11 81.28 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.712 -0.795 . . . . 0.0 109.805 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.556 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 98.5 mt-10 -66.75 -40.05 88.14 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.092 0.472 . . . . 0.0 110.7 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.531 ' O ' HG23 ' A' ' 78' ' ' VAL . 88.9 t80 -65.51 -45.6 82.92 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 1.02 HG12 ' HB1' ' B' ' 79' ' ' ALA . 58.3 t -63.56 -42.45 96.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.095 -178.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.469 HG13 HG13 ' B' ' 76' ' ' VAL . 58.6 t -61.11 -44.49 98.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.617 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.72 HD22 HD21 ' A' ' 61' ' ' LEU . 30.0 tp -63.56 -39.46 94.45 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.767 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 74' ' ' TYR . 53.5 t -59.87 -39.07 78.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.994 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 1.009 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -57.84 -40.38 79.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.512 -178.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.66 -41.49 79.22 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.404 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.59 -40.49 95.63 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.561 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.4 t -64.27 -40.34 95.78 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 118.862 -1.135 . . . . 0.0 109.73 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.483 HG22 ' CE2' ' B' ' 71' ' ' PHE . 69.0 t -62.2 -41.89 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.44 -31.44 72.66 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.268 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -53.95 -34.85 60.87 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.166 -179.659 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.42 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 49.8 t-20 -56.17 -37.4 69.5 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.18 0.514 . . . . 0.0 110.467 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -54.13 -35.77 62.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.513 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -58.57 -45.51 88.85 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -62.89 -44.16 96.86 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.06 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.417 ' HE1' ' ND2' ' A' ' 86' ' ' ASN . 87.9 m95 -59.93 -34.33 73.09 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.803 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.43 -33.41 67.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -55.04 -37.4 66.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.672 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.626 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -62.98 154.46 30.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.747 0.308 . . . . 0.0 110.501 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.4 -35.33 78.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.868 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.684 HD13 ' OE1' ' A' ' 40' ' ' GLU . 8.4 tt -60.0 -40.11 88.09 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.022 -178.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.43 -40.22 90.29 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.3 m -64.85 -37.98 89.44 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.545 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.94 98.8 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.677 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.7 mtm -57.27 -40.5 77.85 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 118.038 -1.465 . . . . 0.0 108.158 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.509 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 98.1 mt-10 -67.03 -36.05 81.25 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.946 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.415 ' O ' HG13 ' B' ' 14' ' ' VAL . 46.1 m -62.06 -44.08 97.45 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.987 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.437 ' O ' HG22 ' B' ' 14' ' ' VAL . 82.9 mt -60.86 -45.44 94.53 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.802 0.81 . . . . 0.0 111.065 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -68.21 -40.59 82.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.882 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 2.3 m120 -60.26 -41.33 93.04 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.977 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.437 HG22 ' O ' ' B' ' 11' ' ' LEU . 25.7 m -74.18 -35.33 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.429 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.497 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 66.4 t80 -59.49 -48.41 81.74 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.331 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -61.39 -43.84 98.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.21 -40.94 97.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -177.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.509 ' HA ' ' HZ2' ' B' ' 21' ' ' LYS . 96.9 m-70 -90.6 -31.96 16.46 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.0 p -62.88 -31.33 72.35 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.636 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.2 -28.66 67.09 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 115.755 -0.657 . . . . 0.0 113.909 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.509 ' HZ2' ' HA ' ' B' ' 18' ' ' HIS . 32.3 mtmm -56.98 -40.8 77.23 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -176.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.578 ' N ' ' OE2' ' B' ' 32' ' ' GLU . 94.5 mt-10 -141.77 150.59 41.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.621 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.43 -153.04 51.23 Favored Glycine 0 C--N 1.33 0.216 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -71.92 137.69 47.57 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -59.84 -39.36 84.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.816 0.817 . . . . 0.0 110.074 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.594 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.2 m-30 -71.38 -30.13 65.76 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.191 -1.368 . . . . 0.0 113.349 -175.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -120.74 154.13 36.06 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.944 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.5 144.54 25.69 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.0 t -98.22 157.99 15.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.088 -1.414 . . . . 0.0 107.428 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -52.94 -41.98 64.99 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.629 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -61.07 -48.59 80.99 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 119.355 -0.938 . . . . 0.0 111.433 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.578 ' OE2' ' N ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -62.4 -39.89 94.71 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.137 -176.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.81 -41.41 99.28 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.48 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.529 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 2.7 tptp -60.95 -45.45 94.69 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.689 177.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.403 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -67.04 -38.21 85.46 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 119.994 -0.682 . . . . 0.0 112.068 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.464 HD21 ' CB ' ' B' ' 18' ' ' HIS . 78.9 mt -66.78 -45.91 76.97 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.726 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 60.8 mt -68.49 -42.03 79.22 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 118.868 -1.133 . . . . 0.0 110.42 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.529 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.2 tt0 -63.39 -42.18 98.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.18 -0.918 . . . . 0.0 113.012 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 3.0 t -85.05 -45.54 12.01 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.128 -0.629 . . . . 0.0 112.394 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.684 ' OE1' HD13 ' A' ' 4' ' ' LEU . 96.9 mt-10 -72.0 -35.55 69.48 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.024 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 64.5 mt -121.95 46.49 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.869 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -57.61 -25.34 59.95 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.87 -68.1 1.34 Allowed Glycine 0 CA--C 1.531 1.038 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.767 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -57.93 -43.77 86.51 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -91.15 -2.53 57.53 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.089 0.404 . . . . 0.0 112.089 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.528 ' C ' ' O ' ' B' ' 45' ' ' LEU . 59.9 t0 -25.05 112.49 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.523 0.677 . . . . 0.0 111.192 -177.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.91 -27.33 69.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.013 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -56.22 -36.87 68.95 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.29 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -60.76 -40.22 91.71 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.495 ' CG ' ' H ' ' B' ' 53' ' ' ALA . 65.8 t0 -156.81 95.0 1.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.49 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.89 -40.47 85.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -60.81 -28.3 68.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.568 -1.196 . . . . 0.0 112.455 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.495 ' H ' ' CG ' ' B' ' 50' ' ' ASP . . . -52.4 -32.09 37.22 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.566 -0.453 . . . . 0.0 112.168 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.416 HG21 ' HD3' ' B' ' 34' ' ' LYS . 55.7 t -57.34 -46.79 85.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 119.701 -0.8 . . . . 0.0 110.294 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -64.6 -40.91 96.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.249 0.547 . . . . 0.0 110.867 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -59.54 -41.35 89.87 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.364 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 27.3 m -76.58 -37.74 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 119.55 -0.86 . . . . 0.0 111.784 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.518 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.7 ppp? -62.84 -38.86 92.43 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.588 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' B' ' 58' ' ' MET . 47.4 mtpt -59.58 -38.86 82.31 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 119.507 -0.877 . . . . 0.0 110.941 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.86 -38.2 90.17 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.286 -0.565 . . . . 0.0 110.388 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.706 HD21 HD22 ' B' ' 77' ' ' LEU . 92.0 mt -67.12 -37.09 83.27 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.041 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.546 ' OD1' HG22 ' B' ' 69' ' ' VAL . 99.7 m-20 -92.82 34.95 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.003 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -51.01 -31.0 16.77 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 121.52 0.676 . . . . 0.0 109.373 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.56 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 10.7 m120 -52.76 -31.24 37.15 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.834 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.95 4.27 56.77 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 108.163 -1.975 . . . . 0.0 108.163 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.59 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 54.1 p30 -90.03 126.55 35.8 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 122.178 0.99 . . . . 0.0 110.479 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -53.78 -25.36 29.34 Favored Glycine 0 C--N 1.305 -1.177 0 CA-C-N 114.359 -1.291 . . . . 0.0 110.59 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -94.67 145.05 25.11 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.669 0.747 . . . . 0.0 110.799 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.546 HG22 ' OD1' ' B' ' 62' ' ' ASP . 58.4 t -102.53 131.7 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.187 -178.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -83.78 142.62 30.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.481 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.617 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 40.2 t80 -56.03 -41.36 74.85 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.372 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -57.54 -41.24 80.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.902 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.56 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 98.5 mt-10 -66.67 -40.02 88.43 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.116 0.484 . . . . 0.0 110.738 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.531 ' O ' HG23 ' B' ' 78' ' ' VAL . 88.9 t80 -65.55 -45.71 82.32 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 1.009 HG12 ' HB1' ' A' ' 79' ' ' ALA . 58.8 t -63.43 -42.51 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.469 HG13 HG13 ' A' ' 76' ' ' VAL . 58.5 t -61.03 -44.49 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.63 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.706 HD22 HD21 ' B' ' 61' ' ' LEU . 30.2 tp -63.66 -39.49 94.46 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.654 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 74' ' ' TYR . 53.5 t -59.9 -39.03 78.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.05 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 1.02 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -57.81 -40.38 79.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.568 -178.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.64 -41.51 79.33 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.346 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.6 mt -64.67 -40.56 95.63 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.552 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.5 t -64.05 -40.45 96.32 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 118.872 -1.131 . . . . 0.0 109.791 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.481 HG22 ' CE2' ' A' ' 71' ' ' PHE . 69.9 t -62.29 -41.83 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.54 -31.32 72.48 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.242 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.552 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -54.1 -34.83 61.22 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.073 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.428 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 49.7 t-20 -56.16 -37.36 69.44 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.124 0.488 . . . . 0.0 110.435 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -54.11 -35.81 62.55 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.514 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -58.54 -45.49 88.79 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -62.96 -44.2 96.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.98 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.409 ' HE1' ' ND2' ' B' ' 86' ' ' ASN . 88.2 m95 -59.8 -34.32 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.897 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.39 -33.49 67.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.606 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -55.02 -37.33 66.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.729 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.528 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 m -63.12 156.66 24.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.703 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.64 -34.96 76.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.294 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.49 HD22 ' OE1' ' B' ' 40' ' ' GLU . 39.1 tp -59.08 -40.0 83.88 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.519 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.65 -40.72 88.63 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.342 -0.943 . . . . 0.0 108.667 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.1 m -65.83 -37.49 86.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.922 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.64 84.75 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.921 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.9 mtm -58.43 -41.03 84.14 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 118.867 -1.133 . . . . 0.0 109.122 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.495 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 98.3 mt-10 -67.78 -35.7 79.14 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.878 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.915 ' O ' HG23 ' A' ' 14' ' ' VAL . 45.7 m -61.92 -43.81 98.07 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.088 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.413 ' CD2' ' CD1' ' B' ' 4' ' ' LEU . 80.5 mt -61.51 -46.6 89.28 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.711 0.767 . . . . 0.0 111.03 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.602 HD13 HD21 ' B' ' 86' ' ' ASN . 74.3 mt -65.57 -42.53 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.75 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 2.2 m120 -59.05 -38.49 79.5 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.915 HG23 ' O ' ' A' ' 10' ' ' THR . 88.9 t -64.73 -43.01 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.152 178.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 89.6 t80 -59.28 -50.12 75.2 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.845 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -59.97 -38.62 83.04 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.401 -0.519 . . . . 0.0 111.717 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.76 -39.9 95.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.745 ' HB2' HD21 ' A' ' 36' ' ' LEU . 96.7 m-70 -101.43 -48.37 4.37 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -178.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.496 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 24.7 m -58.07 -34.93 70.66 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.543 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.67 -30.24 62.27 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.655 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -57.71 -38.61 75.54 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -127.5 150.38 49.7 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.42 0.629 . . . . 0.0 112.217 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.47 -159.21 11.85 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -72.7 141.57 48.22 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.895 0.378 . . . . 0.0 110.336 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.01 -39.81 87.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.771 0.796 . . . . 0.0 110.176 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.1 m-30 -74.06 -19.07 60.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.431 -175.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HZ3' ' HG2' ' A' ' 68' ' ' GLU . 20.8 tptm -112.99 140.26 47.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.315 -178.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 29' ' ' SER . 4.9 tt -97.46 130.68 44.54 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -178.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.6 ' N ' HD23 ' A' ' 28' ' ' LEU . 35.8 t -101.76 151.38 22.12 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.983 0.42 . . . . 0.0 111.26 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HZ1' ' HG2' ' A' ' 58' ' ' MET . 69.1 tttt -53.5 -40.46 65.41 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.866 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.02 -48.29 82.12 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 119.153 -1.019 . . . . 0.0 110.167 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.557 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.8 mt-10 -61.79 -37.19 83.44 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.454 -177.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.24 -45.16 94.56 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.0 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.661 ' HZ2' ' NE2' ' A' ' 38' ' ' GLN . 19.5 tptt -60.11 -41.55 92.82 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.311 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.435 ' O ' HG22 ' A' ' 39' ' ' THR . 78.0 mm-40 -69.35 -38.96 78.36 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 114.537 -1.21 . . . . 0.0 112.314 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 18' ' ' HIS . 86.3 mt -66.75 -50.08 63.91 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 119.316 -0.954 . . . . 0.0 112.226 178.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.519 HD21 ' OH ' ' A' ' 74' ' ' TYR . 63.2 mt -68.17 -42.87 79.34 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.439 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.661 ' NE2' ' HZ2' ' A' ' 34' ' ' LYS . 51.3 tt0 -64.17 -43.05 96.32 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -178.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.488 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.6 t -84.15 -46.58 11.77 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.505 -0.878 . . . . 0.0 112.238 -178.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.679 ' C ' HD12 ' A' ' 41' ' ' LEU . 95.7 mt-10 -73.7 -34.09 64.68 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.841 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.679 HD12 ' C ' ' A' ' 40' ' ' GLU . 9.0 mp -122.65 51.85 1.37 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.72 0.295 . . . . 0.0 110.819 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.8 p -58.28 -25.47 61.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.849 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.48 -69.32 1.27 Allowed Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.734 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.98 -43.43 86.54 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.671 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -92.16 -2.98 56.25 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.529 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 56.1 p30 -20.77 76.56 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.722 0.773 . . . . 0.0 112.626 -177.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -63.34 -27.21 69.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.185 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -52.48 -37.18 56.59 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.427 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.521 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 71.5 mmtt -58.97 -38.03 78.15 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.521 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.9 m-20 -142.87 89.49 2.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.67 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.29 -39.57 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.047 0.451 . . . . 0.0 110.422 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -56.06 -33.46 65.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.998 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.04 -29.45 65.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.014 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.91 -44.56 82.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.198 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -61.3 -41.22 96.62 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.035 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.97 -39.05 84.33 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.821 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.88 -44.5 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.23 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.528 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 ppp? -65.28 -38.45 90.31 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.891 -0.724 . . . . 0.0 111.765 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.35 -38.02 79.33 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.719 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.89 -38.46 91.16 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.837 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 70.4 mt -68.05 -35.65 78.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.335 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -97.5 34.95 1.72 Allowed 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.272 -0.876 . . . . 0.0 113.104 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -49.76 -30.37 9.38 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.326 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.547 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 11.4 m120 -53.13 -34.39 56.56 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.538 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.41 3.89 62.8 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.697 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.7 p30 -61.44 -36.09 79.4 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 114.814 -0.693 . . . . 0.0 112.171 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.697 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 91.96 -6.7 79.24 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.474 ' HG2' ' HZ3' ' A' ' 27' ' ' LYS . 39.9 tp10 -118.64 149.0 42.13 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.516 ' O ' ' O ' ' A' ' 28' ' ' LEU . 48.4 t -101.12 129.54 51.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.807 0.813 . . . . 0.0 111.992 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -95.32 129.96 42.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.298 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.569 ' CE2' ' CG2' ' A' ' 75' ' ' VAL . 90.6 t80 -52.05 -40.88 61.77 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.358 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -56.57 -41.3 76.68 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.667 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.547 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.6 mt-10 -66.84 -38.71 86.93 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 120.999 0.428 . . . . 0.0 110.592 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.59 ' CE2' HG21 ' A' ' 78' ' ' VAL . 92.2 t80 -63.08 -42.05 99.55 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 1.017 HG12 ' HB1' ' B' ' 79' ' ' ALA . 73.6 t -59.46 -42.35 87.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.315 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.23 -43.1 97.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.294 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.575 ' O ' HD13 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -64.28 -40.1 95.28 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 120.932 0.396 . . . . 0.0 110.408 -179.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.59 HG21 ' CE2' ' A' ' 74' ' ' TYR . 54.6 t -61.21 -39.36 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 120.357 -0.537 . . . . 0.0 112.176 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 1.023 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -59.22 -38.92 81.14 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -177.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.12 -43.69 73.9 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.776 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -67.93 -38.93 83.48 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 78' ' ' VAL . 1.4 t -58.93 -43.07 91.11 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 119.12 -1.032 . . . . 0.0 109.951 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.467 ' CG2' HG21 ' B' ' 75' ' ' VAL . 95.6 t -63.96 -41.15 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.13 0.49 . . . . 0.0 109.935 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.9 -31.54 72.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.456 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 70.9 m -54.72 -35.78 64.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.824 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.614 HD21 HD13 ' B' ' 12' ' ' ILE . 25.0 m120 -56.39 -34.17 66.45 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.771 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.687 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 58.2 t30 -53.23 -39.75 64.02 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 121.603 0.716 . . . . 0.0 109.224 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -66.37 -41.57 89.24 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.512 0.673 . . . . 0.0 109.888 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -59.8 -50.68 72.88 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -176.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.687 ' CD1' ' O ' ' A' ' 87' ' ' ASN . 11.7 p-90 -63.35 -33.6 75.87 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 118.705 -1.198 . . . . 0.0 111.346 -178.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.84 -32.68 73.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.683 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -55.64 -34.52 65.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.625 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.0 m -63.16 156.71 24.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.706 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.73 -34.89 76.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.252 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.481 HD22 ' OE1' ' A' ' 40' ' ' GLU . 39.1 tp -59.24 -39.9 84.23 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.464 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.65 -40.77 88.8 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 119.459 -0.896 . . . . 0.0 108.648 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.2 m -65.81 -37.56 86.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.938 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.56 -46.75 84.49 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.909 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.0 mtm -58.34 -40.98 83.61 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 118.838 -1.145 . . . . 0.0 109.136 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.487 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 98.4 mt-10 -67.84 -35.75 79.14 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.872 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.9 ' O ' HG23 ' B' ' 14' ' ' VAL . 45.3 m -61.93 -43.77 98.16 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.082 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.418 ' CD2' ' CD1' ' A' ' 4' ' ' LEU . 80.4 mt -61.55 -46.55 89.43 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 121.701 0.762 . . . . 0.0 111.089 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.614 HD13 HD21 ' A' ' 86' ' ' ASN . 74.3 mt -65.59 -42.41 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.851 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 2.2 m120 -59.18 -38.49 79.92 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 10' ' ' THR . 88.3 t -64.65 -43.07 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.2 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.554 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 89.6 t80 -59.22 -50.13 75.2 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.862 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -59.94 -38.55 82.76 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.793 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.93 95.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.745 ' HB2' HD21 ' B' ' 36' ' ' LEU . 96.7 m-70 -101.36 -48.34 4.4 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -177.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.495 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 24.9 m -58.17 -34.9 70.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.512 -177.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.71 -30.2 62.34 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.699 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -57.72 -38.58 75.54 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.554 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.9 mm-40 -127.56 150.42 49.71 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.408 0.623 . . . . 0.0 112.271 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.43 -159.11 11.81 Favored Glycine 0 CA--C 1.519 0.341 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.75 141.55 48.14 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.91 0.386 . . . . 0.0 110.317 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.14 -39.71 87.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.742 0.782 . . . . 0.0 110.17 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.567 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.1 m-30 -74.05 -19.02 60.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.025 -1.443 . . . . 0.0 112.488 -176.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.528 ' HZ3' ' HG2' ' B' ' 68' ' ' GLU . 20.8 tptm -112.99 140.23 47.98 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.343 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.604 HD23 ' N ' ' B' ' 29' ' ' SER . 4.9 tt -97.57 130.59 44.6 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.604 ' N ' HD23 ' B' ' 28' ' ' LEU . 35.9 t -101.65 151.45 22.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.879 0.371 . . . . 0.0 111.308 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.483 ' HZ1' ' HG2' ' B' ' 58' ' ' MET . 69.0 tttt -53.61 -40.37 65.67 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.898 -178.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.06 -48.31 82.07 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.127 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.554 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.8 mt-10 -61.89 -37.14 83.49 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.403 -177.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.12 -45.23 94.41 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.087 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.659 ' HZ2' ' NE2' ' B' ' 38' ' ' GLN . 19.5 tptt -60.0 -41.66 92.59 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.339 178.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.447 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -69.21 -39.06 78.82 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 114.495 -1.23 . . . . 0.0 112.397 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' B' ' 18' ' ' HIS . 86.7 mt -66.72 -50.13 63.79 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 119.33 -0.948 . . . . 0.0 112.207 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.518 HD21 ' OH ' ' B' ' 74' ' ' TYR . 63.2 mt -68.21 -42.83 79.26 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.257 -0.977 . . . . 0.0 111.36 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.659 ' NE2' ' HZ2' ' B' ' 34' ' ' LYS . 51.4 tt0 -64.31 -42.94 96.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.6 t -84.15 -46.55 11.8 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.597 -0.841 . . . . 0.0 112.263 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.679 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.8 mt-10 -73.7 -34.13 64.7 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 119.95 -0.7 . . . . 0.0 111.848 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.679 HD12 ' C ' ' B' ' 40' ' ' GLU . 9.0 mp -122.65 51.8 1.38 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.694 0.283 . . . . 0.0 110.816 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -58.21 -25.56 61.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.847 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.39 -69.45 1.27 Allowed Glycine 0 CA--C 1.531 1.068 0 N-CA-C 111.639 -0.584 . . . . 0.0 111.639 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.94 -43.37 86.32 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.689 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.4 OUTLIER -92.15 -3.1 56.1 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.537 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 56.0 p30 -20.61 76.5 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.697 0.76 . . . . 0.0 112.6 -177.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.689 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -63.32 -27.23 69.18 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.181 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -52.45 -37.26 56.52 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.412 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.516 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 71.5 mmtt -58.81 -38.15 77.97 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.516 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.7 m-20 -142.84 89.54 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.674 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.27 -39.6 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.008 0.433 . . . . 0.0 110.448 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -56.13 -33.39 65.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.036 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.96 -29.59 65.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.036 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.75 -44.65 82.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.226 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.33 -41.16 96.58 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.024 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.98 -39.06 84.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.908 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.5 t -66.88 -44.58 88.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.107 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.541 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -65.25 -38.51 90.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.706 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.3 -38.03 79.21 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 119.766 -0.774 . . . . 0.0 111.718 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.8 -38.51 91.36 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.882 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.482 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 70.3 mt -67.95 -35.73 78.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.448 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -97.51 35.04 1.71 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.182 -0.917 . . . . 0.0 113.06 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -49.75 -30.43 9.47 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.312 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.55 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 11.5 m120 -53.09 -34.44 56.62 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.519 -178.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.37 4.03 62.79 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 108.705 -1.758 . . . . 0.0 108.705 -177.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.692 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.9 p30 -61.49 -36.02 79.31 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 114.782 -0.709 . . . . 0.0 112.185 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.692 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 92.0 -6.77 79.15 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.528 ' HG2' ' HZ3' ' B' ' 27' ' ' LYS . 39.9 tp10 -118.66 148.89 42.26 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.521 ' O ' ' O ' ' B' ' 28' ' ' LEU . 48.1 t -101.01 129.55 51.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.828 0.823 . . . . 0.0 112.017 -178.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -95.36 130.02 42.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.33 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.573 ' CE2' ' CG2' ' B' ' 75' ' ' VAL . 90.7 t80 -52.13 -40.81 61.89 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.019 -0.672 . . . . 0.0 111.388 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -56.51 -41.28 76.45 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.463 -0.895 . . . . 0.0 109.666 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.55 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.7 mt-10 -66.91 -38.72 86.75 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 178.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.59 ' CE2' HG21 ' B' ' 78' ' ' VAL . 92.3 t80 -63.09 -42.07 99.53 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 1.023 HG12 ' HB1' ' A' ' 79' ' ' ALA . 73.5 t -59.51 -42.23 87.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.304 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 73.6 t -64.22 -43.15 97.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.381 -0.527 . . . . 0.0 111.302 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.567 ' O ' HD13 ' B' ' 77' ' ' LEU . 0.2 OUTLIER -64.27 -40.1 95.28 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.983 0.421 . . . . 0.0 110.394 -178.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.59 HG21 ' CE2' ' B' ' 74' ' ' TYR . 54.8 t -61.19 -39.41 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.195 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 1.017 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -59.16 -38.89 80.81 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.744 -0.383 . . . . 0.0 112.027 -177.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.07 -43.72 74.02 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.829 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 0.6 OUTLIER -67.92 -38.93 83.49 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -178.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.474 HG22 ' O ' ' B' ' 78' ' ' VAL . 1.4 t -58.95 -43.1 91.22 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 119.206 -0.998 . . . . 0.0 109.877 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' A' ' 75' ' ' VAL . 95.8 t -63.99 -41.14 91.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.166 0.507 . . . . 0.0 109.928 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -31.64 72.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.358 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 70.9 m -54.64 -35.82 63.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.864 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.602 HD21 HD13 ' A' ' 12' ' ' ILE . 24.9 m120 -56.37 -34.17 66.4 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.743 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.682 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 57.9 t30 -53.32 -39.73 64.27 Favored 'General case' 0 C--O 1.226 -0.169 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -66.35 -41.63 89.27 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.462 0.649 . . . . 0.0 109.84 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -59.81 -50.66 72.94 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -176.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.682 ' CD1' ' O ' ' B' ' 87' ' ' ASN . 11.6 p-90 -63.34 -33.57 75.83 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 118.692 -1.203 . . . . 0.0 111.411 -178.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.86 -32.7 73.06 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.712 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -55.56 -34.62 64.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.565 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.507 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 p -80.96 7.59 10.33 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-O 121.957 0.884 . . . . 0.0 110.518 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' A' ' 3' ' ' GLU . 18.9 mt-10 -58.57 -32.35 68.84 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 113.804 -1.544 . . . . 0.0 111.268 -177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.443 HD23 HD13 ' B' ' 41' ' ' LEU . 42.7 tp -57.29 -41.72 80.35 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.437 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.503 ' OE2' ' O ' ' B' ' 40' ' ' GLU . 97.4 mt-10 -63.93 -39.27 93.77 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 119.626 -0.829 . . . . 0.0 109.598 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 m -64.74 -39.52 93.78 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.305 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.28 -48.16 71.31 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.811 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.442 ' SD ' HD21 ' B' ' 41' ' ' LEU . 47.1 mtm -57.68 -42.45 83.66 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 118.32 -1.352 . . . . 0.0 108.985 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.5 -38.42 87.19 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.131 -177.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.5 m -61.58 -43.0 99.66 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.8 -46.15 88.26 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 119.697 -0.801 . . . . 0.0 110.165 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.474 ' CD1' HD21 ' B' ' 86' ' ' ASN . 77.3 mt -64.01 -40.69 89.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.389 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -60.25 -40.34 89.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.243 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.584 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 33.9 m -78.96 -47.3 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 119.414 -0.914 . . . . 0.0 112.659 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.434 ' N ' HG23 ' A' ' 14' ' ' VAL . 65.1 m-85 -65.59 -38.71 90.27 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 119.438 -0.905 . . . . 0.0 111.153 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.448 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 85.4 t60 -59.88 -44.94 93.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.626 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.67 -51.7 39.1 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.82 ' CG ' HD21 ' A' ' 36' ' ' LEU . 53.1 m80 -61.52 -43.31 99.09 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.0 m -58.41 -35.26 71.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 111.568 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.11 -28.55 58.63 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.539 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -56.5 -40.27 74.69 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.358 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.514 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.1 mt-10 -143.83 138.55 28.75 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.891 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.91 -166.14 54.73 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -72.14 145.94 47.77 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.948 0.404 . . . . 0.0 110.072 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -59.3 -35.55 73.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.737 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -88.17 -4.55 58.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.133 -177.437 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.618 ' HZ1' ' CD ' ' A' ' 68' ' ' GLU . 19.9 tptm -114.61 131.25 56.76 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.374 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.512 ' O ' ' O ' ' A' ' 69' ' ' VAL . 25.4 mt -99.3 135.13 41.16 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.519 0.676 . . . . 0.0 111.637 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.9 p -101.85 160.91 14.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.464 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.39 -39.24 69.9 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.446 -0.901 . . . . 0.0 110.255 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -62.37 -53.2 58.4 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.754 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.0 mt-10 -63.82 -41.03 97.95 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.713 -176.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.554 HD21 ' CD1' ' A' ' 61' ' ' LEU . 55.4 tp -63.86 -45.84 87.66 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.829 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.648 ' HZ1' ' NE2' ' A' ' 38' ' ' GLN . 17.7 tptp -60.78 -42.16 96.98 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 121.845 0.831 . . . . 0.0 110.97 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 39' ' ' THR . 78.4 mm-40 -70.06 -38.16 75.7 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 114.672 -1.149 . . . . 0.0 112.289 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.82 HD21 ' CG ' ' A' ' 18' ' ' HIS . 65.2 mt -68.19 -45.94 72.04 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.656 -0.818 . . . . 0.0 112.204 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.432 HD21 ' OH ' ' A' ' 74' ' ' TYR . 71.7 mt -69.62 -44.98 69.56 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.492 -0.883 . . . . 0.0 110.639 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.648 ' NE2' ' HZ1' ' A' ' 34' ' ' LYS . 51.8 tt0 -64.69 -41.9 95.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.903 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.3 t -81.84 -47.17 13.15 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.936 -0.706 . . . . 0.0 112.402 -178.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.746 ' C ' HD12 ' A' ' 41' ' ' LEU . 75.9 mm-40 -72.91 -34.68 66.79 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 119.603 -0.839 . . . . 0.0 111.297 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.746 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.9 mp -123.98 58.06 1.19 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.752 0.311 . . . . 0.0 110.529 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.8 m -55.16 -32.77 62.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.639 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.4 -68.36 1.4 Allowed Glycine 0 CA--C 1.53 1.01 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.272 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -58.28 -43.44 87.98 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 47' ' ' ALA . 1.5 mm? -91.35 -3.63 56.57 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.4 t0 -22.58 75.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.672 0.607 . . . . 0.0 112.435 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.697 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -68.79 -20.42 64.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.061 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -55.43 -35.16 65.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.686 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 52.2 mtmt -58.49 -35.66 72.56 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.056 -0.658 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.5 m-20 -140.01 94.12 2.72 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.1 t -59.49 -44.65 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.188 0.518 . . . . 0.0 111.402 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.25 -33.73 71.38 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.49 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.23 -28.65 65.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.944 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.58 -44.8 81.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.205 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 58' ' ' MET . 90.0 m-20 -62.26 -40.96 97.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.374 0.607 . . . . 0.0 110.245 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -59.46 -39.49 83.84 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.618 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.4 t -67.59 -45.24 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.96 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.564 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.1 ppp? -62.68 -37.69 87.44 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.838 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -57.0 -38.3 72.88 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 118.368 -1.333 . . . . 0.0 108.978 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -65.99 -36.38 83.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.044 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.746 HD23 HD12 ' A' ' 77' ' ' LEU . 75.4 mt -66.48 -37.74 85.76 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.24 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.501 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 38.6 t0 -84.49 100.06 11.11 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.173 -1.011 . . . . 0.0 112.657 -178.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -69.58 -39.69 77.17 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.504 0.668 . . . . 0.0 110.776 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -59.78 -36.73 77.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.634 -1.166 . . . . 0.0 112.321 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.0 3.99 69.61 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.642 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.7 p30 -62.35 -31.45 72.08 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 114.312 -0.944 . . . . 0.0 112.172 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.642 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 100.45 -4.74 56.9 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.618 ' CD ' ' HZ1' ' A' ' 27' ' ' LYS . 80.6 tt0 -116.84 143.35 45.79 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.512 ' O ' ' O ' ' A' ' 28' ' ' LEU . 53.2 t -106.33 134.58 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.5 0.667 . . . . 0.0 112.339 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.2 t0 -105.82 151.95 23.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.408 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 81.4 t80 -53.17 -41.46 65.23 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.048 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.529 ' O ' HG22 ' A' ' 75' ' ' VAL . 63.2 tt0 -58.14 -41.55 83.93 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.225 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.48 -40.24 81.05 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.473 0.654 . . . . 0.0 110.984 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.432 ' OH ' HD21 ' A' ' 37' ' ' LEU . 90.4 t80 -62.74 -40.56 97.6 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 72' ' ' GLN . 33.5 m -64.3 -32.77 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.95 -50.46 77.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 118.746 -1.182 . . . . 0.0 111.883 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.746 HD12 HD23 ' A' ' 61' ' ' LEU . 50.9 mt -76.11 -35.66 59.21 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 p -55.49 -34.83 35.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 119.325 -0.95 . . . . 0.0 110.333 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.432 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.08 -37.89 81.25 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.57 -40.55 76.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.509 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.87 -39.48 94.57 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.543 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.556 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -61.35 -41.62 97.35 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 119.26 -0.976 . . . . 0.0 109.686 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.2 t -62.37 -41.59 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.27 -30.31 71.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.059 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -54.89 -36.04 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.177 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.471 HD21 ' CD1' ' B' ' 12' ' ' ILE . 2.9 m120 -57.13 -34.65 68.61 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.457 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -53.27 -35.89 60.56 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -59.17 -43.43 92.15 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.92 -46.2 90.12 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.658 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -59.44 -34.61 72.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.076 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.0 -33.44 68.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.555 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.79 137.0 42.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.539 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.592 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.502 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.526 0.726 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.8 p -80.97 7.66 10.19 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 122.056 0.931 . . . . 0.0 110.606 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -58.55 -32.39 68.86 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.269 -177.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.438 HD23 HD13 ' A' ' 41' ' ' LEU . 42.7 tp -57.31 -41.68 80.36 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.49 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' A' ' 40' ' ' GLU . 97.4 mt-10 -63.98 -39.19 93.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.667 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' B' ' 10' ' ' THR . 45.9 m -64.75 -39.56 93.83 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.394 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.3 71.2 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.743 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.45 ' SD ' HD21 ' A' ' 41' ' ' LEU . 47.2 mtm -57.63 -42.49 83.48 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 118.328 -1.349 . . . . 0.0 108.996 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.44 -38.46 87.46 Favored 'General case' 0 N--CA 1.436 -1.125 0 CA-C-N 113.792 -1.549 . . . . 0.0 110.186 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 6' ' ' THR . 45.9 m -61.51 -42.98 99.62 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.212 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.0 mt -58.87 -46.15 88.47 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.107 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.471 ' CD1' HD21 ' A' ' 86' ' ' ASN . 77.2 mt -64.05 -40.6 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.471 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -60.35 -40.33 90.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.192 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.59 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 33.8 m -78.99 -47.2 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.653 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.446 ' N ' HG23 ' B' ' 14' ' ' VAL . 65.3 m-85 -65.67 -38.74 90.14 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 119.506 -0.878 . . . . 0.0 111.087 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.446 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 85.3 t60 -59.99 -44.72 94.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.568 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.85 -51.62 38.56 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.818 ' CG ' HD21 ' B' ' 36' ' ' LEU . 53.0 m80 -61.7 -43.29 99.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.0 m -58.34 -35.34 71.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.856 0.36 . . . . 0.0 111.576 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.0 -28.55 58.32 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.65 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -56.52 -40.3 74.82 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.376 -178.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.504 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.1 mt-10 -143.81 138.5 28.76 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.916 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.89 -166.13 54.72 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -72.09 145.91 47.87 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.906 0.384 . . . . 0.0 110.042 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.4 ' HD3' ' CE1' ' B' ' 16' ' ' HIS . 69.1 mttt -59.29 -35.49 73.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.757 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.555 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 1.0 OUTLIER -88.23 -4.54 58.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.061 -177.348 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.621 ' HZ1' ' CD ' ' B' ' 68' ' ' GLU . 19.9 tptm -114.65 131.25 56.79 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.346 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.514 ' O ' ' O ' ' B' ' 69' ' ' VAL . 25.7 mt -99.26 135.05 41.23 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.481 0.658 . . . . 0.0 111.67 178.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.6 p -101.69 160.93 14.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.603 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.4 -39.31 70.02 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.531 -0.868 . . . . 0.0 110.197 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -62.38 -53.18 58.76 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.73 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.504 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.0 mt-10 -63.8 -41.11 97.97 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 119.352 -0.939 . . . . 0.0 110.608 -176.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.554 HD21 ' CD1' ' B' ' 61' ' ' LEU . 55.6 tp -63.95 -45.72 87.89 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.8 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.661 ' HZ1' ' NE2' ' B' ' 38' ' ' GLN . 17.8 tptp -60.86 -42.05 97.09 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 121.877 0.846 . . . . 0.0 111.035 178.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.415 ' O ' HG22 ' B' ' 39' ' ' THR . 78.3 mm-40 -70.0 -38.23 75.92 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 114.696 -1.138 . . . . 0.0 112.349 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.818 HD21 ' CG ' ' B' ' 18' ' ' HIS . 65.6 mt -68.25 -45.85 72.07 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.605 -0.838 . . . . 0.0 112.244 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.432 HD21 ' OH ' ' B' ' 74' ' ' TYR . 71.9 mt -69.59 -45.1 69.4 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.653 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.661 ' NE2' ' HZ1' ' B' ' 34' ' ' LYS . 51.7 tt0 -64.58 -41.92 95.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.969 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.3 t -81.85 -47.05 13.28 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.857 -0.737 . . . . 0.0 112.487 -178.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.744 ' C ' HD12 ' B' ' 41' ' ' LEU . 75.9 mm-40 -72.95 -34.72 66.7 Favored 'General case' 0 N--CA 1.46 0.072 0 C-N-CA 119.66 -0.816 . . . . 0.0 111.251 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.744 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.9 mp -123.93 58.01 1.18 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.716 0.293 . . . . 0.0 110.558 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 24.0 m -55.19 -32.79 62.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.638 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.3 -68.35 1.41 Allowed Glycine 0 CA--C 1.53 0.98 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.341 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -58.35 -43.36 88.29 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' B' ' 47' ' ' ALA . 1.5 mm? -91.43 -3.6 56.48 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.3 t0 -22.5 75.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.642 0.589 . . . . 0.0 112.562 -177.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.698 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -68.83 -20.4 64.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.041 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -55.53 -35.03 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.72 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.504 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 52.1 mtmt -58.54 -35.67 72.68 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.004 -0.678 . . . . 0.0 111.183 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 91.4 m-20 -139.94 94.21 2.74 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 40.1 t -59.52 -44.61 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 111.403 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.27 -33.83 71.53 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.422 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.14 -28.68 64.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.933 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.61 -44.81 81.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.117 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.417 ' O ' ' HG3' ' B' ' 58' ' ' MET . 89.9 m-20 -62.26 -40.96 97.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.42 0.629 . . . . 0.0 110.276 178.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -59.41 -39.56 83.84 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.688 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 68.9 t -67.49 -45.24 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.038 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.554 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.0 ppp? -62.61 -37.78 87.59 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.04 -0.664 . . . . 0.0 111.812 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -57.04 -38.36 73.1 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 118.327 -1.349 . . . . 0.0 108.931 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.93 -36.29 82.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.092 177.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.749 HD23 HD12 ' B' ' 77' ' ' LEU . 75.5 mt -66.65 -37.55 85.03 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.296 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.484 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 38.5 t0 -84.51 100.06 11.12 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.122 -1.031 . . . . 0.0 112.669 -178.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -69.53 -39.77 77.28 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.558 0.694 . . . . 0.0 110.762 176.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -59.79 -36.68 77.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.297 -177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.99 3.95 69.69 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 108.282 -1.927 . . . . 0.0 108.282 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.641 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.8 p30 -62.36 -31.46 72.11 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 114.328 -0.936 . . . . 0.0 112.104 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.641 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 100.41 -4.55 56.89 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.621 ' CD ' ' HZ1' ' B' ' 27' ' ' LYS . 80.8 tt0 -116.95 143.4 45.76 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' B' ' 28' ' ' LEU . 52.6 t -106.38 134.47 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.51 0.671 . . . . 0.0 112.302 -178.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.3 t0 -105.79 152.05 23.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.385 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.517 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 81.4 t80 -53.23 -41.51 65.48 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.061 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.529 ' O ' HG22 ' B' ' 75' ' ' VAL . 63.2 tt0 -58.08 -41.57 83.7 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.239 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.47 -40.21 81.1 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.392 0.615 . . . . 0.0 111.05 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.432 ' OH ' HD21 ' B' ' 37' ' ' LEU . 90.3 t80 -62.81 -40.43 97.35 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.529 HG22 ' O ' ' B' ' 72' ' ' GLN . 33.6 m -64.38 -32.73 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.9 -50.47 77.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 118.809 -1.157 . . . . 0.0 111.887 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.749 HD12 HD23 ' B' ' 61' ' ' LEU . 50.7 mt -76.27 -35.58 58.85 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 p -55.26 -35.0 34.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 119.414 -0.915 . . . . 0.0 110.394 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.434 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.07 -37.91 81.3 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.54 -40.56 76.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.454 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.84 -39.48 94.49 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.563 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.0 OUTLIER -61.39 -41.54 97.3 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 119.106 -1.038 . . . . 0.0 109.724 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.44 -41.51 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.28 -30.37 71.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.988 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.563 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -54.88 -35.98 64.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.196 -179.579 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.474 HD21 ' CD1' ' A' ' 12' ' ' ILE . 2.9 m120 -57.13 -34.7 68.66 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.429 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -53.31 -35.83 60.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -59.24 -43.47 92.37 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.88 -46.18 90.14 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.677 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -59.44 -34.63 72.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.074 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.06 -33.37 68.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.551 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.86 137.05 42.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.533 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.552 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 m -63.16 156.45 25.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 110.7 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.64 -34.74 76.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.319 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.549 HD23 HD11 ' B' ' 41' ' ' LEU . 31.5 tp -58.81 -39.55 81.52 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.033 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.18 -40.65 86.3 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 119.371 -0.932 . . . . 0.0 108.607 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.9 m -65.96 -37.59 86.38 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.955 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.96 83.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.866 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.5 mtm -58.47 -40.42 82.65 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 118.949 -1.1 . . . . 0.0 109.103 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.576 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.8 mt-10 -66.87 -36.55 82.58 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.205 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.871 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.8 m -61.54 -43.3 99.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.106 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.83 -46.19 90.55 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 120.091 -0.643 . . . . 0.0 111.203 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.66 -43.33 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.742 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.576 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 86.0 m-20 -59.58 -38.19 80.52 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.933 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 10' ' ' THR . 95.8 t -65.05 -43.84 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 90.2 t80 -59.99 -46.55 89.1 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.023 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -60.61 -40.17 90.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.045 0.45 . . . . 0.0 111.002 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.99 98.97 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.776 ' HB2' HD21 ' A' ' 36' ' ' LEU . 96.0 m-70 -103.38 -42.22 5.78 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -177.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -61.31 -32.59 72.45 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.096 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.79 -31.98 80.13 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.512 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -58.05 -36.75 73.23 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -127.61 147.81 50.36 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.696 0.76 . . . . 0.0 112.972 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.3 -141.58 43.72 Favored Glycine 0 CA--C 1.521 0.451 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.813 177.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -83.21 128.95 34.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.479 -0.861 . . . . 0.0 110.422 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -56.31 -38.7 71.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.566 0.698 . . . . 0.0 110.056 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.582 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 m-30 -74.19 -20.41 60.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.466 -1.243 . . . . 0.0 113.014 -176.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -113.89 144.89 42.28 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.884 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.529 ' O ' ' O ' ' A' ' 69' ' ' VAL . 4.9 tt -102.5 128.55 49.08 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.509 ' N ' HD23 ' A' ' 28' ' ' LEU . 84.2 p -102.16 159.78 15.09 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.971 0.415 . . . . 0.0 111.454 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -54.45 -39.07 67.07 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.577 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -60.19 -49.75 76.41 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.847 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.49 -38.16 88.79 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.261 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.7 tp -62.9 -44.07 97.08 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.48 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.534 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 4.8 tptp -59.39 -41.53 89.59 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.613 178.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 39' ' ' THR . 78.3 mm-40 -71.24 -40.72 70.85 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.702 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.776 HD21 ' HB2' ' A' ' 18' ' ' HIS . 95.0 mt -64.4 -47.93 77.32 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.288 -0.965 . . . . 0.0 111.903 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.592 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 5.5 mp -70.65 -42.78 70.38 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.698 -0.801 . . . . 0.0 112.09 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.534 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.0 tt0 -62.56 -41.73 99.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.4 t -86.61 -45.72 10.77 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.646 -0.822 . . . . 0.0 112.562 -179.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.615 ' C ' HD12 ' A' ' 41' ' ' LEU . 95.8 mt-10 -73.67 -33.53 64.49 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 120.236 -0.586 . . . . 0.0 112.494 -177.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.615 HD12 ' C ' ' A' ' 40' ' ' GLU . 7.2 mp -120.54 43.48 2.73 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.053 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.8 p -57.11 -24.7 55.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.682 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.43 -69.12 1.31 Allowed Glycine 0 CA--C 1.533 1.208 0 C-N-CA 121.193 -0.527 . . . . 0.0 111.907 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.97 -43.13 86.29 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.586 HD13 HD23 ' A' ' 41' ' ' LEU . 8.8 mp -94.03 -0.31 55.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.571 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 53.2 p30 -20.93 120.77 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 122.402 1.096 . . . . 0.0 112.798 -177.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.605 ' O ' HG22 ' A' ' 51' ' ' VAL . . . -66.18 -18.24 65.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.013 -1.448 . . . . 0.0 112.215 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.34 -34.99 62.23 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.109 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -112.43 141.14 46.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 56.28 50.93 12.39 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.222 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 47' ' ' ALA . 61.3 t -53.12 -37.48 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.682 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 49.4 p30 -78.93 9.57 4.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.785 0.326 . . . . 0.0 110.987 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.499 ' O ' HG13 ' A' ' 57' ' ' VAL . . . -59.95 -30.8 69.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.151 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.53 HG21 ' HD3' ' A' ' 34' ' ' LYS . 78.0 t -57.62 -47.82 84.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.344 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -65.8 -43.62 88.13 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.734 0.778 . . . . 0.0 110.736 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' NZ ' ' OD1' ' A' ' 52' ' ' ASP . 21.0 mtmm -59.0 -40.79 85.99 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.912 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 53' ' ' ALA . 15.8 m -76.56 -37.09 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.217 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.581 ' C ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -59.56 -39.33 83.68 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.247 179.717 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 58' ' ' MET . 68.5 mttm -58.15 -38.51 76.73 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 118.823 -1.151 . . . . 0.0 109.707 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.44 -37.1 85.89 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.141 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.621 HD21 HD22 ' A' ' 77' ' ' LEU . 59.1 mt -67.03 -35.6 80.24 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.407 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.617 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 48.7 t0 -70.77 82.43 0.63 Allowed 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.985 -177.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.73 -38.18 88.44 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.174 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.462 ' ND2' ' OD2' ' A' ' 66' ' ' ASP . 33.2 p-10 -89.05 1.54 55.4 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.118 -0.633 . . . . 0.0 112.468 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.473 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 74.22 27.17 66.61 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.254 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.617 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 55.2 p30 -104.95 155.18 19.18 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 122.291 1.043 . . . . 0.0 110.048 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.8 -28.28 62.93 Favored Glycine 0 C--N 1.298 -1.577 0 CA-C-N 113.828 -1.533 . . . . 0.0 112.287 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.528 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 42.3 tp10 -95.37 146.62 24.26 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.502 0.668 . . . . 0.0 111.945 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.529 ' O ' ' O ' ' A' ' 28' ' ' LEU . 47.0 t -110.31 135.26 49.92 Favored 'Isoleucine or valine' 0 C--N 1.338 0.093 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.243 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 56.9 t0 -99.06 145.39 27.16 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.431 0.634 . . . . 0.0 111.401 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.559 ' CE2' ' CG2' ' A' ' 75' ' ' VAL . 90.0 t80 -52.24 -39.81 60.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.892 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -56.84 -40.62 76.41 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.859 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.487 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 99.6 mt-10 -65.95 -41.98 90.55 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.448 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.582 ' CZ ' ' CG2' ' A' ' 78' ' ' VAL . 82.2 t80 -64.85 -41.31 95.81 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.988 HG12 ' HB1' ' B' ' 79' ' ' ALA . 78.8 t -58.29 -40.96 79.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.181 -0.608 . . . . 0.0 111.519 -177.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.21 -43.54 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.597 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.621 HD22 HD21 ' A' ' 61' ' ' LEU . 29.3 tp -63.86 -39.83 95.13 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.816 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.595 ' O ' HG22 ' A' ' 82' ' ' THR . 53.1 t -58.71 -40.29 79.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.887 -179.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 1.018 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -60.3 -39.54 87.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.106 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.29 -43.87 66.29 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.366 -0.534 . . . . 0.0 111.704 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.92 -40.03 94.43 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 78' ' ' VAL . 1.6 t -62.2 -42.6 99.44 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.763 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.465 HG23 HG11 ' B' ' 75' ' ' VAL . 89.6 t -63.9 -41.52 92.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.882 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.93 -33.33 75.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.1 m -56.21 -35.83 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.424 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.33 -34.6 66.73 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.312 0.577 . . . . 0.0 110.195 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -53.52 -36.97 62.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.435 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -57.43 -45.54 84.53 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.553 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -63.57 -45.02 92.35 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -60.47 -33.85 73.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.23 -33.32 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -99.79 119.89 38.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.473 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' A' ' 93' ' ' SER . 14.1 p . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.056 -0.974 . . . . 0.0 110.511 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m -63.22 156.43 25.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.636 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.6 -34.8 76.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.264 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.564 HD23 HD11 ' A' ' 41' ' ' LEU . 31.4 tp -58.72 -39.54 81.12 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.107 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.24 -40.58 86.39 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 119.4 -0.92 . . . . 0.0 108.661 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.3 m -65.93 -37.66 86.63 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.967 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.36 -47.02 83.86 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.829 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.3 mtm -58.52 -40.55 83.21 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.032 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.593 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.8 mt-10 -66.7 -36.59 82.86 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.306 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.845 ' O ' HG23 ' B' ' 14' ' ' VAL . 44.9 m -61.49 -43.39 98.94 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.052 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.82 -46.18 90.62 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.467 0.651 . . . . 0.0 111.208 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.2 mt -65.68 -43.4 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.68 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.593 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 86.1 m-20 -59.52 -38.19 80.33 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.892 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.845 HG23 ' O ' ' B' ' 10' ' ' THR . 96.1 t -64.99 -43.84 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 90.1 t80 -60.04 -46.42 89.57 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.112 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -60.69 -40.14 91.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.101 0.476 . . . . 0.0 110.955 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -40.98 99.09 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.759 ' HB2' HD21 ' B' ' 36' ' ' LEU . 96.0 m-70 -103.36 -42.23 5.78 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 -177.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 85.2 p -61.14 -32.66 72.36 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.176 -178.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.79 -32.04 80.34 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.473 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.09 -36.71 73.24 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -127.63 147.75 50.37 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.749 0.785 . . . . 0.0 112.957 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.39 -141.61 43.85 Favored Glycine 0 CA--C 1.521 0.425 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.801 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -83.24 129.02 34.98 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.498 -0.851 . . . . 0.0 110.396 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -56.35 -38.6 71.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.596 0.712 . . . . 0.0 110.123 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.576 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.2 m-30 -74.25 -20.38 60.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.395 -1.275 . . . . 0.0 113.017 -176.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -113.98 144.84 42.42 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.524 ' O ' ' O ' ' B' ' 69' ' ' VAL . 4.8 tt -102.44 128.54 49.0 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.515 ' N ' HD23 ' B' ' 28' ' ' LEU . 84.2 p -102.09 159.8 15.06 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.956 0.408 . . . . 0.0 111.477 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -54.58 -38.93 67.29 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.528 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -60.3 -49.76 76.3 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.784 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.55 -38.06 88.58 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.254 -177.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.402 HD11 ' CE1' ' B' ' 74' ' ' TYR . 50.7 tp -62.98 -44.07 97.05 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.464 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.571 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 4.9 tptp -59.35 -41.48 89.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.642 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.433 ' O ' HG22 ' B' ' 39' ' ' THR . 78.3 mm-40 -71.33 -40.62 70.63 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.688 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.759 HD21 ' HB2' ' B' ' 18' ' ' HIS . 95.0 mt -64.41 -47.99 77.09 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 119.325 -0.95 . . . . 0.0 111.923 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.591 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 5.6 mp -70.67 -42.76 70.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.776 -0.77 . . . . 0.0 112.031 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.571 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.0 tt0 -62.6 -41.67 99.12 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.4 t -86.66 -45.63 10.82 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.62 -0.832 . . . . 0.0 112.54 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.603 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.9 mt-10 -73.77 -33.6 64.32 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.4 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.603 HD12 ' C ' ' B' ' 40' ' ' GLU . 7.2 mp -120.46 43.47 2.72 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.155 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -57.09 -24.66 55.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.716 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.36 -69.25 1.31 Allowed Glycine 0 CA--C 1.533 1.182 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.911 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.88 -43.16 85.87 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.595 HD13 HD23 ' B' ' 41' ' ' LEU . 8.9 mp -94.11 -0.26 55.43 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.584 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 53.1 p30 -20.9 120.74 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 122.422 1.106 . . . . 0.0 112.807 -177.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.616 ' O ' HG22 ' B' ' 51' ' ' VAL . . . -66.24 -18.15 65.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 113.953 -1.476 . . . . 0.0 112.22 -179.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.42 -34.89 62.22 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.109 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -112.45 141.15 46.53 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 56.32 50.93 12.33 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.182 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.616 HG22 ' O ' ' B' ' 47' ' ' ALA . 61.9 t -53.13 -37.47 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.758 -178.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.454 ' C ' ' OD1' ' B' ' 52' ' ' ASP . 49.4 p30 -78.91 9.5 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.802 0.334 . . . . 0.0 111.003 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.487 ' O ' HG13 ' B' ' 57' ' ' VAL . . . -59.92 -30.7 69.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.168 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.511 HG21 ' HD3' ' B' ' 34' ' ' LYS . 76.1 t -57.81 -47.64 85.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.27 -177.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -65.91 -43.59 87.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.714 0.769 . . . . 0.0 110.669 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.437 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 21.0 mtmm -59.08 -40.77 86.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.867 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.487 HG13 ' O ' ' B' ' 53' ' ' ALA . 15.7 m -76.52 -37.18 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 C-N-CA 119.243 -0.983 . . . . 0.0 111.275 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.579 ' C ' ' SD ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -59.5 -39.29 83.32 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 119.221 -0.992 . . . . 0.0 110.28 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' B' ' 58' ' ' MET . 68.6 mttm -58.28 -38.38 76.86 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 118.797 -1.161 . . . . 0.0 109.72 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.41 -37.19 86.21 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.207 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.617 HD21 HD22 ' B' ' 77' ' ' LEU . 59.0 mt -66.94 -35.62 80.39 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.455 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.627 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 48.6 t0 -70.77 82.46 0.63 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.348 -0.941 . . . . 0.0 111.003 -177.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.81 -38.2 88.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.086 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.498 ' ND2' ' OD2' ' B' ' 66' ' ' ASP . 33.3 p-10 -89.02 1.5 55.43 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.107 -0.637 . . . . 0.0 112.503 -178.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.46 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 74.27 27.15 66.54 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.232 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.627 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 55.2 p30 -105.03 155.21 19.18 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 122.25 1.024 . . . . 0.0 110.066 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.84 -28.26 63.0 Favored Glycine 0 C--N 1.298 -1.568 0 CA-C-N 113.842 -1.526 . . . . 0.0 112.239 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.534 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 42.3 tp10 -95.37 146.6 24.27 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.534 0.683 . . . . 0.0 111.9 -177.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.524 ' O ' ' O ' ' B' ' 28' ' ' LEU . 46.8 t -110.3 135.27 49.85 Favored 'Isoleucine or valine' 0 C--N 1.339 0.131 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.28 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 56.9 t0 -99.07 145.3 27.27 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.476 0.655 . . . . 0.0 111.417 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.559 ' CE2' ' CG2' ' B' ' 75' ' ' VAL . 89.9 t80 -52.02 -39.91 60.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.967 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -56.83 -40.63 76.4 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.857 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.477 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 99.6 mt-10 -65.98 -41.93 90.49 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.258 0.551 . . . . 0.0 110.478 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.58 ' CE2' ' CG2' ' B' ' 78' ' ' VAL . 82.6 t80 -64.86 -41.28 95.8 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 1.018 HG12 ' HB1' ' A' ' 79' ' ' ALA . 78.3 t -58.33 -40.86 79.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.549 -177.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.29 -43.54 96.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.535 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.617 HD22 HD21 ' B' ' 61' ' ' LEU . 29.4 tp -63.89 -39.88 95.23 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.716 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.594 ' O ' HG22 ' B' ' 82' ' ' THR . 53.1 t -58.72 -40.29 79.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.855 -179.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.988 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -60.39 -39.52 87.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.994 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.18 -43.88 66.57 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.744 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 81' ' ' LEU . 75.0 mt -64.93 -40.09 94.51 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.594 HG22 ' O ' ' B' ' 78' ' ' VAL . 1.6 t -62.17 -42.56 99.38 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.226 -0.99 . . . . 0.0 109.808 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.472 HG23 HG11 ' A' ' 75' ' ' VAL . 89.3 t -63.97 -41.47 92.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.922 178.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.29 75.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.135 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 73.2 m -56.29 -35.75 67.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.31 -34.62 66.68 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.338 0.59 . . . . 0.0 110.238 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -53.51 -36.92 62.27 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.493 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -57.46 -45.51 84.67 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.513 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -63.5 -45.14 92.04 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.681 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -60.44 -33.83 73.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.3 -33.41 67.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.608 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -99.76 119.95 38.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.47 ' O ' ' OG ' ' B' ' 93' ' ' SER . 14.2 p . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.418 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 50.7 m -120.0 147.65 44.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.774 0.321 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.48 -38.37 90.87 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.412 ' HB2' HG11 ' B' ' 14' ' ' VAL . 31.1 tp -62.27 -39.5 93.11 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.56 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.82 -40.75 89.49 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 119.693 -0.803 . . . . 0.0 108.903 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -65.03 -37.8 88.81 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.38 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.53 99.35 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.023 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.548 ' SD ' HD21 ' B' ' 41' ' ' LEU . 54.5 mtm -57.34 -40.44 78.01 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 118.348 -1.341 . . . . 0.0 108.542 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.59 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 98.0 mt-10 -67.3 -37.14 82.89 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.682 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.6 m -61.24 -42.82 99.28 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.231 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.47 -45.66 92.9 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.787 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.78 -41.42 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.637 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.59 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 86.6 m-20 -60.03 -39.29 85.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.641 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' THR . 72.3 t -66.99 -42.86 89.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.688 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 76.6 t80 -58.63 -49.14 78.58 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.231 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -62.67 -40.21 96.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.573 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.56 -43.97 97.5 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.636 ' HB2' HD21 ' A' ' 36' ' ' LEU . 34.7 m80 -101.05 -32.13 10.75 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -177.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.714 ' OG ' HD21 ' A' ' 28' ' ' LEU . 14.5 m -62.64 -38.94 92.26 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.559 -0.856 . . . . 0.0 111.942 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.79 -28.89 72.47 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 115.85 1.1 . . . . 0.0 115.85 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 18' ' ' HIS . 51.9 pttt -56.17 -42.78 77.58 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.609 1.205 . . . . 0.0 112.475 -176.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.577 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 97.9 mt-10 -137.15 149.83 47.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.4 0.619 . . . . 0.0 112.064 178.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.87 -157.99 53.64 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.623 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -79.23 133.84 36.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.926 -0.637 . . . . 0.0 109.52 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -56.65 -38.7 72.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.938 0.875 . . . . 0.0 109.606 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.525 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 59.6 m-85 -70.85 -24.12 62.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.976 -1.465 . . . . 0.0 113.537 -178.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -114.27 142.88 45.72 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.714 HD21 ' OG ' ' A' ' 19' ' ' SER . 95.7 mt -100.42 134.55 43.2 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.352 -1.295 . . . . 0.0 108.349 175.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -94.39 161.09 14.38 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -51.52 -39.98 58.73 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.004 -1.078 . . . . 0.0 108.925 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -62.24 -51.11 69.06 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.154 -0.618 . . . . 0.0 112.227 177.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.577 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.7 mt-10 -64.1 -40.44 96.21 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.582 0.706 . . . . 0.0 111.065 -175.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -64.81 -41.18 95.98 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.394 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HD3' HG21 ' A' ' 54' ' ' VAL . 15.8 tptm -60.56 -44.8 95.76 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 114.547 -1.206 . . . . 0.0 111.206 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -68.17 -37.33 80.88 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.774 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 18' ' ' HIS . 93.1 mt -65.85 -46.91 76.77 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 119.054 -1.059 . . . . 0.0 111.676 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.6 mt -69.37 -42.13 75.59 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.836 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.9 -41.66 97.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.492 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.2 t -83.53 -45.63 13.35 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.344 -0.542 . . . . 0.0 112.369 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.627 ' C ' HD12 ' A' ' 41' ' ' LEU . 76.3 mm-40 -71.48 -35.19 70.73 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.087 -178.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.63 HD23 HD13 ' A' ' 45' ' ' LEU . 7.7 mp -124.28 48.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -55.33 -33.05 63.0 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.351 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.05 -62.41 1.67 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.404 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -58.63 -44.88 90.14 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.695 ' O ' ' N ' ' A' ' 47' ' ' ALA . 7.5 mp -96.08 -1.78 48.0 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.531 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 53.9 p30 -18.88 75.74 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 122.013 0.911 . . . . 0.0 112.595 -177.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.695 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -67.85 -15.67 63.73 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 114.264 -1.335 . . . . 0.0 111.816 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -53.98 -35.91 62.34 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.044 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 92.3 mttt -59.59 -36.69 76.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.491 0.662 . . . . 0.0 109.595 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 88.5 m-20 -136.53 89.74 2.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.053 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.15 -43.66 93.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.305 0.574 . . . . 0.0 111.487 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -58.23 -32.8 68.66 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.637 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.1 -30.46 62.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.637 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.43 HG21 ' HD3' ' A' ' 34' ' ' LYS . 53.2 t -57.71 -43.65 84.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.388 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.62 -40.42 91.82 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.617 0.722 . . . . 0.0 109.588 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt -61.01 -39.29 89.15 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.854 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.16 -45.87 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.047 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.473 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 ppp? -64.55 -35.61 81.53 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.998 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 58' ' ' MET . 82.9 tttt -57.73 -41.06 81.06 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.773 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.2 -36.4 84.05 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.352 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.767 HD21 HD22 ' A' ' 77' ' ' LEU . 88.4 mt -66.41 -36.45 82.85 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.536 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 49.9 t0 -79.66 98.38 6.92 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.032 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -77.38 -34.86 54.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.729 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.422 ' ND2' ' HB3' ' A' ' 66' ' ' ASP . 44.3 p-10 -90.7 0.89 57.26 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.445 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 70.61 13.8 71.79 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.896 178.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.647 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.4 p30 -62.06 -33.47 74.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.647 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.51 -6.32 65.31 Favored Glycine 0 C--N 1.321 -0.26 0 N-CA-C 108.995 -1.642 . . . . 0.0 108.995 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 82.3 tt0 -111.68 141.87 44.74 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.7 t -105.14 132.8 51.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.494 0.664 . . . . 0.0 111.172 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.4 t0 -98.64 147.53 24.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.924 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.688 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 52.4 t80 -51.69 -37.71 51.85 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -59.01 -38.36 79.07 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.039 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 98.4 mt-10 -68.71 -42.29 77.89 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.46 0.647 . . . . 0.0 110.512 178.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -66.3 -43.0 87.51 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 71' ' ' PHE . 30.6 m -65.2 -36.7 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -177.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.94 -40.37 78.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 118.616 -1.233 . . . . 0.0 110.722 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.767 HD22 HD21 ' A' ' 61' ' ' LEU . 25.1 tp -67.73 -41.77 82.94 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.39 -0.524 . . . . 0.0 112.368 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.6 p -59.19 -35.37 57.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 C-N-CA 119.713 -0.795 . . . . 0.0 111.369 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.4 -38.12 82.99 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.084 0.469 . . . . 0.0 110.002 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.03 -41.36 74.36 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.864 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.593 HD13 HD21 ' A' ' 45' ' ' LEU . 70.1 mt -63.47 -39.24 93.95 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.2 t -59.35 -40.95 88.05 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.176 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.73 -40.28 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.29 75.07 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.7 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.0 m -54.46 -35.72 63.32 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.199 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -56.37 -34.8 67.0 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.363 0.601 . . . . 0.0 110.272 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -53.05 -38.21 62.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.257 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -57.12 -44.84 83.67 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.351 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -62.46 -41.43 98.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.909 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -57.89 -33.47 68.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.361 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.38 -32.42 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.536 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -54.92 -36.63 65.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.422 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.536 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.41 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 50.8 m -119.91 147.65 44.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.782 0.325 . . . . 0.0 110.524 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.32 -38.52 91.48 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.406 ' HB2' HG11 ' A' ' 14' ' ' VAL . 31.1 tp -62.23 -39.56 93.2 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 120.023 -0.671 . . . . 0.0 111.569 -178.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.74 -40.72 89.06 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.6 -0.84 . . . . 0.0 108.97 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.3 m -65.08 -37.64 88.18 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.467 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.57 99.41 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.047 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.551 ' SD ' HD21 ' A' ' 41' ' ' LEU . 54.2 mtm -57.26 -40.58 77.97 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 118.379 -1.329 . . . . 0.0 108.524 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.601 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.9 mt-10 -67.16 -37.23 83.4 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.739 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.679 ' O ' HG23 ' B' ' 14' ' ' VAL . 47.0 m -61.18 -42.85 99.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.228 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.46 -45.6 93.13 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.71 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.7 mt -65.91 -41.35 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.597 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 86.6 m-20 -60.05 -39.35 85.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.626 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.679 HG23 ' O ' ' B' ' 10' ' ' THR . 71.4 t -66.88 -43.02 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 76.6 t80 -58.69 -49.01 79.16 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.25 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -62.64 -40.25 96.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.567 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.01 97.42 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -176.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.643 ' HB2' HD21 ' B' ' 36' ' ' LEU . 34.9 m80 -101.05 -32.22 10.71 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -177.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.705 ' OG ' HD21 ' B' ' 28' ' ' LEU . 14.5 m -62.51 -38.96 91.97 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.99 -178.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.89 -28.86 72.57 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 115.748 1.059 . . . . 0.0 115.748 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' B' ' 18' ' ' HIS . 52.0 pttt -56.23 -42.68 77.66 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 118.622 1.211 . . . . 0.0 112.496 -176.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.571 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 97.9 mt-10 -137.26 149.83 47.4 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.412 0.625 . . . . 0.0 112.067 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.89 -158.02 53.65 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.637 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -79.17 133.83 36.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.87 -0.665 . . . . 0.0 109.523 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -56.69 -38.68 72.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.924 0.869 . . . . 0.0 109.642 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.51 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 59.3 m-85 -70.83 -24.13 62.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.891 -1.504 . . . . 0.0 113.513 -178.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -114.28 142.84 45.77 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.705 HD21 ' OG ' ' B' ' 19' ' ' SER . 95.8 mt -100.49 134.61 43.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.342 -1.299 . . . . 0.0 108.274 175.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.3 t -94.48 160.93 14.43 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -51.43 -39.93 58.36 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 118.905 -1.118 . . . . 0.0 108.973 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -62.16 -51.16 68.95 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.216 -0.593 . . . . 0.0 112.197 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.571 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.7 mt-10 -64.18 -40.42 96.06 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.635 0.731 . . . . 0.0 110.983 -175.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -64.81 -41.15 96.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.402 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.427 ' HD3' HG21 ' B' ' 54' ' ' VAL . 15.9 tptm -60.59 -44.73 95.93 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.291 177.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.412 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -68.22 -37.34 80.73 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.77 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.643 HD21 ' HB2' ' B' ' 18' ' ' HIS . 93.1 mt -65.86 -46.88 76.83 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.685 178.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.401 ' HB3' HD23 ' B' ' 45' ' ' LEU . 75.1 mt -69.38 -42.07 75.66 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.826 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.92 -41.63 97.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.533 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.2 t -83.52 -45.7 13.28 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.357 -0.537 . . . . 0.0 112.365 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.634 ' C ' HD12 ' B' ' 41' ' ' LEU . 76.3 mm-40 -71.41 -35.26 70.93 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.107 -178.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.634 HD12 ' C ' ' B' ' 40' ' ' GLU . 7.7 mp -124.3 48.33 1.95 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -55.21 -33.22 62.87 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.305 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.01 -62.4 1.67 Allowed Glycine 0 CA--C 1.531 1.063 0 C-N-CA 120.989 -0.625 . . . . 0.0 112.331 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -58.73 -44.77 90.54 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.692 ' O ' ' N ' ' B' ' 47' ' ' ALA . 7.5 mp -96.13 -1.76 47.87 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.537 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 54.1 p30 -18.85 75.78 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 122.057 0.932 . . . . 0.0 112.62 -177.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.692 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -67.85 -15.75 63.77 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.806 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -53.94 -35.83 62.16 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.115 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.424 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 92.2 mttt -59.69 -36.59 76.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.526 0.679 . . . . 0.0 109.597 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 88.4 m-20 -136.53 89.74 2.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.078 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.09 -43.87 93.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.255 0.55 . . . . 0.0 111.441 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -58.16 -32.64 68.39 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.7 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.31 -30.36 62.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.547 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.427 HG21 ' HD3' ' B' ' 34' ' ' LYS . 53.0 t -57.74 -43.61 84.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.438 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' B' ' 58' ' ' MET . 90.0 m-20 -60.64 -40.38 91.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.579 0.704 . . . . 0.0 109.621 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -61.0 -39.26 89.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.88 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.15 -45.86 89.16 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.021 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.478 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -64.48 -35.74 81.92 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.924 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' B' ' 58' ' ' MET . 82.9 tttt -57.6 -41.03 80.4 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.812 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.31 -36.39 83.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.261 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.758 HD21 HD22 ' B' ' 77' ' ' LEU . 88.5 mt -66.44 -36.45 82.82 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.523 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 49.9 t0 -79.66 98.37 6.92 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.977 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -77.33 -34.94 55.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.76 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.421 ' ND2' ' HB3' ' B' ' 66' ' ' ASP . 44.1 p-10 -90.73 1.03 57.22 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.439 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 70.54 13.96 71.75 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.792 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.652 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.6 p30 -62.17 -33.44 74.52 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.652 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.58 -6.47 65.23 Favored Glycine 0 CA--C 1.518 0.244 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.468 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 82.2 tt0 -111.65 141.86 44.71 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 45.7 t -105.11 132.83 50.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.479 0.657 . . . . 0.0 111.172 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.5 t0 -98.75 147.48 24.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.822 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 52.2 t80 -51.62 -37.72 51.39 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -58.92 -38.42 78.89 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.065 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 98.5 mt-10 -68.69 -42.29 77.98 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.488 0.661 . . . . 0.0 110.495 178.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -66.36 -43.11 86.91 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.577 HG13 ' O ' ' B' ' 71' ' ' PHE . 30.5 m -65.16 -36.73 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.98 -40.33 78.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 C-N-CA 118.665 -1.214 . . . . 0.0 110.75 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.758 HD22 HD21 ' B' ' 61' ' ' LEU . 25.1 tp -67.8 -41.74 82.66 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.468 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.6 p -59.23 -35.33 57.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.354 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.439 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.39 -38.15 83.07 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.566 -0.453 . . . . 0.0 109.984 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.98 -41.31 74.61 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.883 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.607 HD13 HD21 ' B' ' 45' ' ' LEU . 70.1 mt -63.6 -39.16 93.66 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.2 t -59.31 -40.9 87.71 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.236 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.8 -40.25 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.3 75.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.724 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 71.0 m -54.51 -35.59 63.3 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.224 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -56.4 -34.89 67.16 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.386 0.612 . . . . 0.0 110.264 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -53.01 -38.15 62.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.3 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -57.14 -44.85 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.338 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -62.53 -41.33 98.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.851 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -57.87 -33.59 68.86 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.31 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.39 -32.42 71.29 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.488 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -54.87 -36.68 65.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.416 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.219 -0.552 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.525 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.431 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 40.1 m -63.03 155.62 27.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 110.508 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.19 -35.46 78.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.843 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 4' ' ' LEU . 7.5 tt -59.34 -40.37 86.16 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.95 -40.93 90.69 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.117 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.7 m -65.78 -38.09 88.08 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.183 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.31 -51.59 62.71 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -39.14 88.94 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 118.709 -1.196 . . . . 0.0 110.031 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.492 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.8 mt-10 -65.43 -37.1 85.91 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.756 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 14' ' ' VAL . 51.2 m -61.56 -43.08 99.52 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.746 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.542 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 92.3 mt -61.9 -43.02 99.7 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.794 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.8 mt -63.61 -46.67 94.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.777 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 84.2 m-20 -61.93 -40.62 96.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.181 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 10' ' ' THR . 75.1 t -67.83 -46.12 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.146 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.569 ' CE2' ' CE2' ' A' ' 74' ' ' TYR . 2.0 m-85 -64.57 -48.12 76.2 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 121.537 0.684 . . . . 0.0 109.97 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -62.77 -40.23 96.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.96 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.04 92.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.211 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.511 ' HA ' ' HZ2' ' A' ' 21' ' ' LYS . 62.7 m170 -88.36 -28.37 21.02 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.756 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.1 t -59.06 -36.42 75.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.17 0.51 . . . . 0.0 111.271 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.44 -29.58 60.77 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 115.558 -0.747 . . . . 0.0 113.601 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.511 ' HZ2' ' HA ' ' A' ' 18' ' ' HIS . 31.7 mtmm -56.89 -39.87 75.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.904 0.852 . . . . 0.0 111.995 -177.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.544 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -139.16 141.11 38.02 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.416 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.39 -163.59 52.89 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 178.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.31 143.47 48.67 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.859 0.361 . . . . 0.0 110.198 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.57 -39.03 82.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 122.352 1.072 . . . . 0.0 109.33 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 68.3 m-85 -69.18 -27.59 65.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 113.204 -1.816 . . . . 0.0 113.232 -177.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -112.75 142.71 45.06 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.626 HD12 ' CD2' ' A' ' 74' ' ' TYR . 87.3 mt -99.56 138.79 36.16 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.53 -1.214 . . . . 0.0 108.768 175.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -100.45 163.65 12.27 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.584 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 86.0 tttt -52.76 -41.46 64.08 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.229 -177.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.1 -51.46 69.03 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.825 -0.75 . . . . 0.0 111.998 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.544 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.7 mt-10 -63.58 -39.32 94.08 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.774 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.0 -41.33 99.55 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.248 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HZ1' ' NE2' ' A' ' 38' ' ' GLN . 14.8 tptp -61.28 -46.74 89.08 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.236 176.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.505 ' O ' HG22 ' A' ' 39' ' ' THR . 77.8 mm-40 -66.59 -36.11 81.83 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.033 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' A' ' 18' ' ' HIS . 0.5 OUTLIER -68.23 -47.69 67.11 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 119.721 -0.791 . . . . 0.0 111.443 179.603 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.6 mt -68.5 -44.07 75.49 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 119.416 -0.913 . . . . 0.0 110.983 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.485 ' NE2' ' HZ1' ' A' ' 34' ' ' LYS . 51.8 tt0 -64.25 -42.17 96.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.471 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 35' ' ' GLU . 2.1 t -80.38 -43.0 21.81 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.196 -0.602 . . . . 0.0 112.297 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.78 ' C ' HD12 ' A' ' 41' ' ' LEU . 77.0 mm-40 -71.33 -35.72 71.32 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.593 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.78 HD12 ' C ' ' A' ' 40' ' ' GLU . 7.5 mp -126.31 58.39 1.37 Allowed 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.277 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -55.14 -32.12 61.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.552 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.94 -67.54 1.38 Allowed Glycine 0 CA--C 1.53 1.013 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.078 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -58.52 -44.4 89.5 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.653 ' O ' ' N ' ' A' ' 47' ' ' ALA . 59.5 mt -92.72 -1.79 56.55 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.541 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 55.8 p30 -20.74 78.59 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.848 0.832 . . . . 0.0 112.497 -178.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.653 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -63.35 -24.45 67.86 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 114.838 -1.073 . . . . 0.0 111.206 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.45 -34.33 64.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.31 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.492 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 74.9 mmtt -58.68 -36.76 74.71 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 90.8 m-20 -140.8 88.21 2.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.296 -1.32 . . . . 0.0 110.469 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.51 -39.31 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.948 0.404 . . . . 0.0 110.636 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.639 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.7 p30 -61.38 -30.8 70.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.663 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.639 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -59.11 -30.85 68.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.599 -178.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.414 HG21 ' HD3' ' A' ' 34' ' ' LYS . 54.8 t -57.87 -44.07 85.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.329 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.584 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 86.3 m-20 -60.99 -41.47 96.57 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.796 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -60.14 -39.07 85.04 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.698 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.23 -45.16 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.344 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.486 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.5 ppp? -65.78 -38.35 88.81 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.964 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 58' ' ' MET . 92.5 mttt -59.32 -38.14 79.53 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 119.564 -0.854 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.42 -38.16 90.05 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.354 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.751 HD21 HD22 ' A' ' 77' ' ' LEU . 81.5 mt -67.6 -36.59 81.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.664 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -98.0 33.87 2.04 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.876 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -52.17 -30.52 27.3 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 121.585 0.707 . . . . 0.0 109.273 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.529 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 12.5 m120 -52.91 -34.39 54.83 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.752 -178.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.32 3.9 62.96 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.686 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.5 p30 -61.47 -35.88 78.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.829 -0.686 . . . . 0.0 112.083 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.686 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 93.59 -10.83 72.31 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -119.48 149.51 41.77 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.0 t -97.02 128.63 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.678 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -88.06 130.78 34.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.276 -1.329 . . . . 0.0 110.425 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.434 ' CE2' HG11 ' A' ' 75' ' ' VAL . 77.7 t80 -50.59 -42.52 55.89 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.818 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.583 ' O ' HG23 ' A' ' 76' ' ' VAL . 63.3 tt0 -58.73 -42.23 88.27 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.667 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.529 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.4 mt-10 -67.4 -39.77 85.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.07 0.462 . . . . 0.0 111.593 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.626 ' CD2' HD12 ' A' ' 28' ' ' LEU . 23.1 t80 -64.55 -44.19 91.56 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -179.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.434 HG11 ' CE2' ' A' ' 71' ' ' PHE . 33.5 m -67.39 -34.71 70.51 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.554 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 72' ' ' GLN . 79.8 t -61.51 -44.52 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.195 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.751 HD22 HD21 ' A' ' 61' ' ' LEU . 28.7 tp -64.82 -39.19 93.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.977 178.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.416 ' O ' HG22 ' A' ' 82' ' ' THR . 52.6 t -58.56 -39.53 75.88 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.76 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.407 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -57.14 -39.25 74.83 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.501 -178.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.77 75.69 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.369 -0.533 . . . . 0.0 111.318 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.68 -38.86 92.72 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.556 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 0.6 OUTLIER -60.39 -40.38 90.72 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.329 -0.948 . . . . 0.0 109.786 -179.611 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.95 -42.09 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.66 -31.83 73.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.785 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -55.55 -40.55 72.04 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.142 -179.313 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.589 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 19.2 t-20 -58.64 -38.24 77.68 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.408 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -53.78 -38.53 64.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.935 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -64.53 -38.21 90.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.882 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -59.14 -45.99 89.53 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.199 0.523 . . . . 0.0 109.603 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.589 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 90.3 m95 -59.22 -34.74 72.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.235 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.18 -33.34 67.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.584 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -55.48 -34.46 64.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.597 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.573 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.439 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 40.5 m -63.03 155.63 27.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.722 0.296 . . . . 0.0 110.517 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.12 -35.58 79.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.843 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.719 HD23 ' O ' ' B' ' 4' ' ' LEU . 7.5 tt -59.2 -40.51 85.99 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.02 -40.96 91.1 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.021 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.42 ' O ' ' OG1' ' B' ' 10' ' ' THR . 47.5 m -65.69 -38.09 88.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.203 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.32 -51.63 62.5 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.514 -0.766 . . . . 0.0 113.01 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -39.26 89.03 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.139 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.493 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.8 mt-10 -65.29 -37.17 86.33 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.746 178.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' B' ' 6' ' ' THR . 51.9 m -61.59 -43.1 99.48 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.68 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.538 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 92.7 mt -61.88 -43.03 99.68 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.792 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.62 -46.64 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.725 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 84.2 m-20 -62.01 -40.58 96.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.164 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.414 HG23 ' O ' ' B' ' 10' ' ' THR . 75.8 t -67.82 -46.15 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.191 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.561 ' CE2' ' CE2' ' B' ' 74' ' ' TYR . 2.0 m-85 -64.43 -48.22 76.13 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.591 0.71 . . . . 0.0 109.97 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -62.77 -40.24 96.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.95 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.1 92.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.204 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.536 ' HA ' ' HZ2' ' B' ' 21' ' ' LYS . 62.6 m170 -88.38 -28.41 20.97 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.732 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -59.06 -36.32 74.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.15 0.5 . . . . 0.0 111.374 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.49 -29.63 60.97 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-N 115.526 -0.761 . . . . 0.0 113.581 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.536 ' HZ2' ' HA ' ' B' ' 18' ' ' HIS . 31.7 mtmm -56.89 -39.78 75.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.958 0.879 . . . . 0.0 111.954 -177.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.9 mm-40 -139.18 141.03 37.98 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.29 -0.564 . . . . 0.0 111.374 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.49 -163.53 53.07 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.49 -0.862 . . . . 0.0 110.98 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -72.41 143.47 48.51 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.81 0.338 . . . . 0.0 110.19 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.59 -38.92 82.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 122.288 1.042 . . . . 0.0 109.356 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.504 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 68.8 m-85 -69.27 -27.55 65.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.181 -1.827 . . . . 0.0 113.222 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -112.79 142.69 45.13 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.63 HD12 ' CD2' ' B' ' 74' ' ' TYR . 87.4 mt -99.51 138.83 36.05 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 114.516 -1.22 . . . . 0.0 108.763 175.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -100.5 163.62 12.28 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.599 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 85.9 tttt -52.79 -41.44 64.13 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.27 -177.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.01 -51.51 68.91 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.764 -0.775 . . . . 0.0 111.99 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.552 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.7 mt-10 -63.59 -39.24 93.87 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.81 -176.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.08 -41.31 99.4 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.244 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.471 ' HZ1' HE22 ' B' ' 38' ' ' GLN . 14.8 tptp -61.26 -46.77 89.0 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.228 176.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.493 ' O ' HG22 ' B' ' 39' ' ' THR . 77.8 mm-40 -66.54 -36.15 81.97 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.082 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.469 HD21 ' CB ' ' B' ' 18' ' ' HIS . 0.5 OUTLIER -68.16 -47.83 66.97 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 119.738 -0.785 . . . . 0.0 111.392 179.615 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 37' ' ' LEU . 70.9 mt -68.38 -44.07 75.95 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.015 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.471 HE22 ' HZ1' ' B' ' 34' ' ' LYS . 51.8 tt0 -64.34 -42.17 96.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.45 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.493 HG22 ' O ' ' B' ' 35' ' ' GLU . 2.0 t -80.28 -43.04 21.98 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.218 -0.593 . . . . 0.0 112.39 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.773 ' C ' HD12 ' B' ' 41' ' ' LEU . 76.9 mm-40 -71.32 -35.71 71.33 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 119.985 -0.686 . . . . 0.0 111.659 -178.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.773 HD12 ' C ' ' B' ' 40' ' ' GLU . 7.5 mp -126.25 58.36 1.37 Allowed 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.291 178.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -55.15 -32.06 61.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.0 -67.58 1.37 Allowed Glycine 0 CA--C 1.53 0.989 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.041 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -58.49 -44.49 89.43 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.667 ' O ' ' N ' ' B' ' 47' ' ' ALA . 59.7 mt -92.63 -1.88 56.54 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.55 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 55.5 p30 -20.75 78.68 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.762 0.791 . . . . 0.0 112.454 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -63.4 -24.34 67.8 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.232 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -55.46 -34.35 64.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.321 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.506 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 75.0 mmtt -58.69 -36.9 74.96 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 91.0 m-20 -140.67 88.23 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.296 -1.32 . . . . 0.0 110.445 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.49 -39.34 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.954 0.407 . . . . 0.0 110.606 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.7 p30 -61.4 -30.81 70.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.659 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.651 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -59.03 -30.93 68.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.541 -178.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.432 HG21 ' HD3' ' B' ' 34' ' ' LYS . 54.4 t -57.84 -44.09 85.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.3 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.599 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 86.5 m-20 -60.97 -41.51 96.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.486 0.66 . . . . 0.0 109.783 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -60.22 -38.97 85.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.978 -0.689 . . . . 0.0 109.729 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.28 -45.07 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.316 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.482 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.5 ppp? -65.84 -38.36 88.68 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.111 -0.636 . . . . 0.0 111.933 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -59.26 -38.22 79.55 Favored 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 119.473 -0.891 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.35 -38.22 90.27 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.35 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.762 HD21 HD22 ' B' ' 77' ' ' LEU . 81.5 mt -67.48 -36.68 81.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.689 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -98.01 33.93 2.03 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.924 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -52.17 -30.44 26.93 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 121.544 0.688 . . . . 0.0 109.321 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.533 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 12.6 m120 -53.04 -34.26 55.64 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.71 -177.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.28 3.88 63.04 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 108.725 -1.75 . . . . 0.0 108.725 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.691 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.6 p30 -61.54 -35.8 78.77 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.848 -0.676 . . . . 0.0 112.064 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.691 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 93.57 -10.87 72.3 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -119.44 149.53 41.71 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 56.3 t -97.07 128.65 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 119.734 -0.787 . . . . 0.0 110.657 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -87.98 130.75 34.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.143 -1.389 . . . . 0.0 110.448 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.44 ' CE2' HG11 ' B' ' 75' ' ' VAL . 77.6 t80 -50.51 -42.58 55.09 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.875 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.586 ' O ' HG23 ' B' ' 76' ' ' VAL . 63.3 tt0 -58.76 -42.19 88.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.671 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.533 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.4 mt-10 -67.4 -39.74 85.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.125 0.488 . . . . 0.0 111.561 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.63 ' CD2' HD12 ' B' ' 28' ' ' LEU . 23.0 t80 -64.62 -44.17 91.41 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.938 -178.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.44 HG11 ' CE2' ' B' ' 71' ' ' PHE . 33.4 m -67.49 -34.64 69.75 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.485 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 72' ' ' GLN . 79.4 t -61.6 -44.46 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.208 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.762 HD22 HD21 ' B' ' 61' ' ' LEU . 28.7 tp -64.87 -39.13 93.07 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.009 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.406 ' O ' HG22 ' B' ' 82' ' ' THR . 53.0 t -58.51 -39.48 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.825 -179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.405 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -57.19 -39.23 74.96 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.548 -178.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.43 -41.8 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.24 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.81 -38.74 92.22 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.567 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 0.6 OUTLIER -60.46 -40.41 91.08 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 119.374 -0.93 . . . . 0.0 109.75 -179.629 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.6 t -61.94 -42.09 93.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.67 -31.78 73.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.836 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -55.56 -40.5 72.03 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.134 -179.377 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.598 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 19.1 t-20 -58.68 -38.3 77.92 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.34 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -53.72 -38.62 64.48 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.864 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -64.5 -38.22 90.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.896 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -59.14 -46.01 89.47 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.202 0.525 . . . . 0.0 109.626 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.598 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 90.2 m95 -59.32 -34.55 72.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.266 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.27 -33.39 67.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.563 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -55.48 -34.44 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.624 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.57 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -119.95 148.5 43.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.818 0.342 . . . . 0.0 110.57 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.424 ' HB2' HG11 ' B' ' 14' ' ' VAL . 92.2 mt-10 -61.56 -35.24 77.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.489 HD22 ' OE1' ' B' ' 40' ' ' GLU . 30.6 tp -58.0 -40.88 81.83 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.866 -178.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.58 -40.99 93.74 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.219 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.8 m -65.84 -38.71 89.62 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.347 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.3 89.27 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.833 -177.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.51 ' SD ' HD21 ' B' ' 41' ' ' LEU . 57.4 mtm -58.25 -40.81 82.76 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 118.466 -1.293 . . . . 0.0 109.077 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 97.8 mt-10 -67.36 -36.66 81.84 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.458 178.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.616 ' O ' HG13 ' A' ' 14' ' ' VAL . 44.7 m -61.7 -43.4 98.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.526 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.6 -47.65 82.88 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.466 0.651 . . . . 0.0 111.533 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.553 HD13 HD21 ' B' ' 86' ' ' ASN . 78.0 mt -66.1 -42.27 91.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.609 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 88.5 m-20 -61.23 -39.12 89.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.259 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 10' ' ' THR . 18.6 m -78.48 -48.57 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 119.459 -0.896 . . . . 0.0 112.125 -179.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.499 ' N ' HG23 ' A' ' 14' ' ' VAL . 65.6 m-85 -66.71 -41.1 88.51 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 119.223 -0.991 . . . . 0.0 111.444 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 85.0 t60 -60.96 -43.85 98.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.149 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.94 -51.37 56.02 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.57 -0.452 . . . . 0.0 112.176 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.756 ' CB ' HD21 ' A' ' 36' ' ' LEU . 88.7 m-70 -61.4 -42.74 99.2 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -58.68 -35.41 72.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.261 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.05 -29.1 59.08 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.928 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -56.63 -40.64 75.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.478 0.639 . . . . 0.0 111.655 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.525 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -143.89 139.54 29.27 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.705 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.21 -166.15 54.75 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -72.6 143.9 48.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.819 0.342 . . . . 0.0 110.259 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -59.79 -39.08 83.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 122.418 1.104 . . . . 0.0 109.197 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 69.1 m-85 -69.76 -24.77 63.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 113.056 -1.884 . . . . 0.0 112.853 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.507 ' CB ' ' OE2' ' A' ' 68' ' ' GLU . 17.2 mmtm -112.42 143.06 44.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.429 0.633 . . . . 0.0 112.677 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.6 mt -98.67 133.23 43.3 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.55 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -89.18 155.82 19.18 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.557 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 64.4 tttt -53.6 -39.87 65.24 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 118.779 -1.168 . . . . 0.0 108.439 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.67 -51.98 65.09 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.525 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.4 mt-10 -63.14 -40.14 96.72 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.674 -176.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.51 -44.58 96.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.524 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.703 ' HZ1' HE22 ' A' ' 38' ' ' GLN . 17.5 tptp -60.54 -44.84 95.67 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.393 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.416 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -69.25 -38.58 78.53 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.591 -1.186 . . . . 0.0 112.092 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.756 HD21 ' CB ' ' A' ' 18' ' ' HIS . 44.6 mt -68.13 -47.8 67.13 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.034 -0.667 . . . . 0.0 112.26 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.1 mt -69.54 -42.05 75.13 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.499 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.703 HE22 ' HZ1' ' A' ' 34' ' ' LYS . 51.7 tt0 -64.83 -41.88 95.38 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.984 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.9 t -83.3 -47.07 11.89 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.73 -0.788 . . . . 0.0 112.32 -178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.654 ' C ' HD12 ' A' ' 41' ' ' LEU . 95.3 mt-10 -72.92 -33.91 66.27 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.18 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.654 HD12 ' C ' ' A' ' 40' ' ' GLU . 9.0 mp -122.72 51.52 1.4 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.454 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -58.07 -25.43 61.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.28 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.55 -69.35 1.3 Allowed Glycine 0 CA--C 1.529 0.953 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.666 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -58.64 -43.61 89.81 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.714 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -91.35 -3.43 56.78 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.531 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 55.1 p30 -20.42 72.12 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -177.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.714 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -66.56 -22.27 66.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.075 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -55.25 -35.71 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.862 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.491 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 12.1 mtpp -59.22 -35.25 73.31 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.053 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.0 m-20 -138.67 99.95 3.95 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.428 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.33 -40.8 87.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.926 0.393 . . . . 0.0 110.748 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.8 p30 -62.4 -30.91 71.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.191 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.653 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -60.17 -27.35 67.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.947 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.3 t -56.76 -43.56 79.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.987 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.557 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 90.1 m-20 -59.29 -41.04 88.04 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 119.55 -0.86 . . . . 0.0 108.86 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.54 -38.31 89.53 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.719 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 53' ' ' ALA . 77.5 t -63.52 -47.41 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.184 -178.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.679 ' SD ' ' ND2' ' A' ' 64' ' ' ASN . 2.6 ppp? -67.03 -39.26 86.95 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 119.408 -0.917 . . . . 0.0 110.445 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 62' ' ' ASP . 44.1 tttm -59.69 -43.05 94.19 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.914 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.11 -36.95 84.52 Favored 'General case' 0 C--N 1.334 -0.078 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.958 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 74' ' ' TYR . 73.0 mt -65.86 -56.12 13.48 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.404 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.68 ' CG ' HG13 ' A' ' 69' ' ' VAL . 21.0 m-20 -116.25 145.96 42.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.316 177.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.441 ' HG3' ' H ' ' A' ' 65' ' ' GLY . 20.7 pt-20 -68.53 -29.27 67.81 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.679 ' ND2' ' SD ' ' A' ' 58' ' ' MET . 86.7 m-20 56.27 41.92 28.58 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 112.848 -1.978 . . . . 0.0 115.589 177.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' H ' ' HG3' ' A' ' 63' ' ' GLU . . . -56.54 -32.89 61.63 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 104.631 -3.388 . . . . 0.0 104.631 174.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.741 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 44.9 p30 -64.28 -35.88 82.3 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 112.469 -1.865 . . . . 0.0 112.081 178.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.741 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 92.46 -10.35 74.32 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 -178.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.507 ' OE2' ' CB ' ' A' ' 27' ' ' LYS . 83.9 tt0 -115.7 148.36 39.83 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.68 HG13 ' CG ' ' A' ' 62' ' ' ASP . 42.5 t -97.42 128.38 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 118.863 -1.135 . . . . 0.0 110.845 -178.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.468 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 60.8 t0 -91.73 129.58 37.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.27 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.558 ' CE2' HG11 ' A' ' 75' ' ' VAL . 79.2 t80 -52.52 -41.74 63.74 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.695 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.481 ' O ' HG22 ' A' ' 75' ' ' VAL . 63.2 tt0 -57.38 -41.97 81.25 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.513 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.423 ' CB ' ' OD1' ' A' ' 62' ' ' ASP . 98.7 mt-10 -68.2 -38.7 82.23 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.135 0.493 . . . . 0.0 110.911 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.466 ' CD1' HD22 ' A' ' 61' ' ' LEU . 64.5 t80 -62.86 -42.17 99.65 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.558 HG11 ' CE2' ' A' ' 71' ' ' PHE . 33.0 m -65.83 -32.21 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.023 -0.671 . . . . 0.0 112.015 -178.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.76 -50.22 78.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 118.996 -1.082 . . . . 0.0 111.539 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 77' ' ' LEU . 35.8 tp -73.91 -38.89 64.2 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 p -56.28 -33.01 36.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 119.611 -0.835 . . . . 0.0 110.269 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -58.09 -38.02 75.62 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.28 -38.06 78.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.127 0.489 . . . . 0.0 109.922 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.91 -39.76 95.52 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.59 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -61.06 -40.77 94.93 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 119.165 -1.014 . . . . 0.0 109.468 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.11 -41.2 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.65 74.29 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.896 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 78.2 m -53.75 -38.22 64.18 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.206 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.541 HD21 HD13 ' B' ' 12' ' ' ILE . 86.3 m-20 -58.83 -36.42 74.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.205 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -53.43 -40.28 65.04 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.446 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -63.31 -37.59 87.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.988 177.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.21 -45.38 91.26 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.203 0.525 . . . . 0.0 109.599 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -58.75 -34.68 71.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.349 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.65 -32.6 72.77 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.547 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.569 ' O ' ' CB ' ' A' ' 93' ' ' SER . 34.3 t30 -100.4 128.82 46.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.528 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 1.3 t . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.704 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -119.91 148.53 43.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.813 0.34 . . . . 0.0 110.618 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.429 ' HB2' HG11 ' A' ' 14' ' ' VAL . 92.4 mt-10 -61.64 -35.2 77.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.493 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.482 HD22 ' OE1' ' A' ' 40' ' ' GLU . 30.4 tp -58.02 -40.83 81.83 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.857 -178.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.57 -41.03 93.78 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.209 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.9 m -65.76 -38.78 90.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.388 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.33 89.22 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.759 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.51 ' SD ' HD21 ' A' ' 41' ' ' LEU . 57.4 mtm -58.33 -40.84 83.18 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 118.446 -1.302 . . . . 0.0 109.016 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 97.8 mt-10 -67.29 -36.6 81.87 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.469 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.593 ' O ' HG13 ' B' ' 14' ' ' VAL . 45.3 m -61.83 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.512 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.49 -47.76 82.54 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.519 0.676 . . . . 0.0 111.516 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.541 HD13 HD21 ' A' ' 86' ' ' ASN . 78.2 mt -66.09 -42.22 90.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.627 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 88.0 m-20 -61.27 -39.11 89.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.324 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.593 HG13 ' O ' ' B' ' 10' ' ' THR . 18.6 m -78.42 -48.59 22.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.102 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.51 ' N ' HG23 ' B' ' 14' ' ' VAL . 65.6 m-85 -66.72 -41.2 88.32 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 119.255 -0.978 . . . . 0.0 111.407 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.444 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 85.1 t60 -60.84 -43.97 97.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.124 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.91 -51.31 56.83 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.753 ' CB ' HD21 ' B' ' 36' ' ' LEU . 88.6 m-70 -61.39 -42.87 99.41 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -58.58 -35.37 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.076 0.465 . . . . 0.0 111.334 -178.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.1 -29.16 59.29 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.861 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -56.63 -40.64 75.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.488 0.644 . . . . 0.0 111.625 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.51 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -143.81 139.57 29.4 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.671 178.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.32 -166.25 54.71 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.556 -1.018 . . . . 0.0 110.556 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.64 143.89 47.99 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 120.843 0.354 . . . . 0.0 110.313 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -59.78 -39.07 83.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 122.393 1.092 . . . . 0.0 109.225 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.509 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 68.1 m-85 -69.65 -24.9 63.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 113.025 -1.898 . . . . 0.0 112.897 -177.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.505 ' CB ' ' OE2' ' B' ' 68' ' ' GLU . 17.2 mmtm -112.37 142.96 44.25 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.5 mt -98.65 133.3 43.17 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.544 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.8 t -89.22 155.82 19.16 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.572 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 64.5 tttt -53.6 -39.93 65.28 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 118.757 -1.177 . . . . 0.0 108.374 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.62 -51.93 65.36 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.51 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.6 mt-10 -63.23 -40.15 96.64 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.622 -176.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.4 -44.73 95.74 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.537 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.821 ' HZ1' ' NE2' ' B' ' 38' ' ' GLN . 17.6 tptp -60.45 -44.78 95.48 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.498 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.415 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -69.21 -38.6 78.66 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 114.606 -1.179 . . . . 0.0 112.124 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.753 HD21 ' CB ' ' B' ' 18' ' ' HIS . 44.8 mt -68.21 -47.76 67.02 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.227 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 64.0 mt -69.59 -41.98 75.04 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.552 -0.859 . . . . 0.0 110.519 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.821 ' NE2' ' HZ1' ' B' ' 34' ' ' LYS . 51.7 tt0 -64.82 -41.95 95.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.959 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.489 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.9 t -83.29 -46.92 12.07 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.654 -0.818 . . . . 0.0 112.349 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.646 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.3 mt-10 -73.01 -33.88 66.03 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.175 -178.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.646 HD12 ' C ' ' B' ' 40' ' ' GLU . 9.0 mp -122.68 51.42 1.41 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.479 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -57.97 -25.41 60.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.297 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.61 -69.34 1.3 Allowed Glycine 0 CA--C 1.53 1.016 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.655 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -58.61 -43.64 89.69 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.719 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.5 OUTLIER -91.34 -3.4 56.82 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.532 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 55.1 p30 -20.45 72.15 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -177.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.719 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -66.61 -22.28 66.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.077 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -55.3 -35.72 65.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.795 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.488 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 12.1 mtpp -59.2 -35.25 73.25 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.068 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 90.8 m-20 -138.69 99.92 3.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.483 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 78.4 t -61.36 -40.79 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 110.753 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.8 p30 -62.26 -31.04 71.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.257 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.645 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -60.16 -27.32 67.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.978 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -56.61 -43.56 79.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.03 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.572 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 90.1 m-20 -59.3 -41.04 88.04 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 119.521 -0.872 . . . . 0.0 108.895 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.55 -38.33 89.64 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.589 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 53' ' ' ALA . 77.9 t -63.57 -47.38 91.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.11 -178.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.685 ' SD ' ' ND2' ' B' ' 64' ' ' ASN . 2.6 ppp? -67.11 -39.26 86.64 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 119.364 -0.935 . . . . 0.0 110.439 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' B' ' 62' ' ' ASP . 44.1 tttm -59.59 -43.03 93.83 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.978 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.14 -37.03 84.7 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.991 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' B' ' 74' ' ' TYR . 72.7 mt -65.79 -56.06 13.95 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.507 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.672 ' CG ' HG13 ' B' ' 69' ' ' VAL . 20.9 m-20 -116.26 145.89 42.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.273 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.44 ' HG3' ' H ' ' B' ' 65' ' ' GLY . 20.6 pt-20 -68.44 -29.29 67.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 105.58 -2.008 . . . . 0.0 105.58 174.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.685 ' ND2' ' SD ' ' B' ' 58' ' ' MET . 86.6 m-20 56.19 41.92 28.76 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 112.854 -1.975 . . . . 0.0 115.607 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.44 ' H ' ' HG3' ' B' ' 63' ' ' GLU . . . -56.54 -32.83 61.56 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 104.68 -3.368 . . . . 0.0 104.68 174.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.744 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 44.9 p30 -64.36 -35.78 82.0 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 112.467 -1.867 . . . . 0.0 112.091 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.744 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 92.34 -10.28 74.55 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.505 ' OE2' ' CB ' ' B' ' 27' ' ' LYS . 84.0 tt0 -115.61 148.39 39.68 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.672 HG13 ' CG ' ' B' ' 62' ' ' ASP . 42.6 t -97.48 128.38 48.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 118.849 -1.141 . . . . 0.0 110.834 -178.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.448 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 60.8 t0 -91.68 129.63 37.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.065 -1.425 . . . . 0.0 111.226 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.555 ' CE2' HG11 ' B' ' 75' ' ' VAL . 79.3 t80 -52.53 -41.74 63.76 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.668 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.47 ' O ' HG22 ' B' ' 75' ' ' VAL . 63.2 tt0 -57.51 -41.83 81.59 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.495 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.415 ' CB ' ' OD1' ' B' ' 62' ' ' ASP . 98.7 mt-10 -68.21 -38.79 82.3 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.18 0.514 . . . . 0.0 110.921 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.468 ' CD1' HD22 ' B' ' 61' ' ' LEU . 64.8 t80 -62.74 -42.29 99.59 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.555 HG11 ' CE2' ' B' ' 71' ' ' PHE . 32.9 m -65.7 -32.34 57.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.028 -0.669 . . . . 0.0 112.063 -178.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.65 -50.22 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 119.0 -1.08 . . . . 0.0 111.588 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.7 tp -73.87 -38.95 64.28 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 p -56.28 -33.07 36.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.233 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.448 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -58.0 -38.01 75.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.32 -38.01 78.02 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.422 -0.511 . . . . 0.0 109.95 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.95 -39.67 95.33 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.658 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 0.6 OUTLIER -61.14 -40.66 94.66 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.492 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.19 -41.17 90.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.13 -32.67 74.33 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.83 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 78.2 m -53.71 -38.26 64.11 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.217 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.553 HD21 HD13 ' A' ' 12' ' ' ILE . 86.5 m-20 -58.92 -36.22 74.38 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.26 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -53.46 -40.21 65.07 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 119.959 -0.696 . . . . 0.0 109.431 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -63.54 -37.49 87.52 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.881 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.18 -45.36 91.25 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.307 0.575 . . . . 0.0 109.656 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -58.76 -34.71 71.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.343 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.56 -32.78 72.88 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.459 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.563 ' O ' ' CB ' ' B' ' 93' ' ' SER . 34.5 t30 -100.44 128.96 46.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.475 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.563 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 1.3 t . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.697 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 p -69.82 161.93 28.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.604 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.37 -35.22 78.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 36.3 tp -59.2 -39.82 83.8 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.438 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.72 -40.92 89.62 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 119.35 -0.94 . . . . 0.0 108.772 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 m -66.14 -38.0 87.05 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.206 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.37 80.97 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.922 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.9 mtm -58.12 -42.48 85.86 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 119.132 -1.027 . . . . 0.0 108.942 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.09 -38.44 88.25 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 113.528 -1.669 . . . . 0.0 109.938 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.7 ' O ' HG23 ' A' ' 14' ' ' VAL . 45.2 m -61.74 -43.09 99.52 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.05 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.41 -43.64 96.51 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.375 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.33 -42.77 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.501 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -59.83 -39.03 83.74 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.286 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 10' ' ' THR . 81.1 t -65.33 -43.52 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.677 ' CE1' HD23 ' A' ' 28' ' ' LEU . 73.6 t80 -60.04 -52.89 63.44 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.964 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.64 -40.91 98.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.771 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.24 98.95 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.731 ' HB2' HD21 ' A' ' 36' ' ' LEU . 95.0 m-70 -98.84 -49.89 4.4 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.497 ' OG ' ' CD2' ' A' ' 28' ' ' LEU . 17.1 m -59.52 -37.3 77.99 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.77 -177.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.04 -36.42 92.27 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.467 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -59.58 -36.52 76.4 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -177.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -120.82 149.81 42.0 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.718 0.771 . . . . 0.0 112.906 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.82 -148.45 49.81 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 114.607 -1.179 . . . . 0.0 112.363 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -82.92 129.66 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.44 -0.88 . . . . 0.0 109.895 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.517 ' C ' ' H ' ' A' ' 27' ' ' LYS . 90.9 mttt -69.17 165.17 20.99 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 60.06 0.46 0.28 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.609 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.586 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 33.0 tptt -126.94 135.63 51.16 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.677 HD23 ' CE1' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -101.94 128.13 48.49 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.779 -177.063 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -104.0 160.03 15.17 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -55.31 -40.2 70.83 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.428 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -59.39 -48.73 80.51 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.428 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.473 ' OE1' HD22 ' A' ' 28' ' ' LEU . 98.5 mt-10 -62.45 -38.44 89.79 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.747 -177.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.27 -42.94 99.18 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.207 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.599 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -61.84 -47.05 86.8 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.86 178.178 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -69.19 -38.3 78.57 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 120.298 -0.561 . . . . 0.0 112.061 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.731 HD21 ' HB2' ' A' ' 18' ' ' HIS . 71.7 mt -64.42 -49.72 70.42 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 119.631 -0.828 . . . . 0.0 112.088 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.523 HD21 ' OH ' ' A' ' 74' ' ' TYR . 66.7 mt -69.77 -42.91 73.21 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.517 -0.873 . . . . 0.0 111.235 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.599 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.8 tt0 -63.88 -42.66 97.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.316 -0.856 . . . . 0.0 113.082 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.5 t -82.79 -46.27 13.3 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.853 -0.739 . . . . 0.0 112.419 -178.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.504 ' OE2' ' CG1' ' A' ' 14' ' ' VAL . 95.7 mt-10 -72.94 -35.52 67.01 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.658 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.2 mt -123.72 53.85 1.34 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.792 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -55.26 -32.36 62.28 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.593 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.53 -67.42 1.53 Allowed Glycine 0 CA--C 1.532 1.144 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.496 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -58.24 -43.51 87.84 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.685 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -90.43 -3.78 57.45 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.533 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 53.8 p30 -20.9 77.24 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.78 0.8 . . . . 0.0 112.564 -177.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.685 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -63.87 -24.76 67.87 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.28 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.52 -34.76 64.95 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.397 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.508 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 72.1 mmtt -59.01 -37.66 77.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.3 m-20 -142.32 89.13 2.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.255 -1.339 . . . . 0.0 110.502 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.45 -39.17 81.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.97 0.414 . . . . 0.0 110.547 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.4 p30 -61.8 -29.56 70.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.558 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.645 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -58.09 -30.52 66.31 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.442 HG21 ' HD3' ' A' ' 34' ' ' LYS . 58.7 t -57.08 -45.63 84.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.536 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -63.31 -39.31 94.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.431 0.634 . . . . 0.0 110.315 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -60.21 -42.02 94.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.483 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 m -76.48 -37.17 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 C-N-CA 119.426 -0.91 . . . . 0.0 111.577 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.492 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -62.71 -34.94 78.19 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.512 179.046 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -58.21 -41.12 83.35 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 120.161 -0.615 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.95 -37.09 86.49 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.473 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.732 HD21 HD22 ' A' ' 77' ' ' LEU . 81.9 mt -66.43 -36.13 82.04 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.491 0.663 . . . . 0.0 110.501 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -88.94 36.2 0.81 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.737 -1.119 . . . . 0.0 113.383 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -50.33 -30.47 12.15 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.468 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.532 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 14.0 m120 -52.39 -30.74 30.62 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.131 -178.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.24 4.31 56.42 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 108.517 -1.833 . . . . 0.0 108.517 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.462 ' C ' ' OD1' ' A' ' 66' ' ' ASP . 50.8 p30 -83.52 171.91 12.91 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-O 121.83 0.824 . . . . 0.0 109.611 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -99.69 -7.41 53.55 Favored Glycine 0 C--N 1.3 -1.425 0 CA-C-N 114.284 -1.326 . . . . 0.0 111.159 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.419 ' OE2' ' CG ' ' A' ' 27' ' ' LYS . 77.4 tt0 -116.22 150.64 37.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.8 0.333 . . . . 0.0 110.324 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.529 ' O ' ' O ' ' A' ' 28' ' ' LEU . 58.8 t -106.71 133.28 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.586 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 87.3 m-20 -85.43 145.75 27.3 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.341 178.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.609 ' CZ ' ' CG1' ' A' ' 75' ' ' VAL . 71.0 t80 -55.1 -39.27 69.14 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.357 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -55.41 -41.0 72.13 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 119.671 -0.811 . . . . 0.0 109.021 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.532 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 97.5 mt-10 -68.04 -38.81 82.95 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.996 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.523 ' OH ' HD21 ' A' ' 37' ' ' LEU . 86.3 t80 -62.76 -44.29 96.58 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.609 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 34.5 m -68.24 -36.07 73.71 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.7 t -63.82 -45.98 95.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 119.213 -0.995 . . . . 0.0 110.469 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.732 HD22 HD21 ' A' ' 61' ' ' LEU . 28.3 tp -68.51 -41.57 79.79 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.4 p -59.15 -33.57 50.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 C-N-CA 119.899 -0.72 . . . . 0.0 111.453 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.426 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -58.91 -37.57 76.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.59 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.3 -42.81 74.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.3 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 81' ' ' LEU . 7.0 mp -65.31 -38.38 90.01 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.1 t -57.84 -40.73 80.77 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.556 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.43 -42.14 92.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.04 0.448 . . . . 0.0 109.995 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.66 76.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.966 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.7 m -57.1 -37.03 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -56.83 -38.72 73.02 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.634 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -53.84 -40.08 66.15 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.522 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -63.18 -37.92 89.14 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.038 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -59.14 -45.63 90.46 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.666 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -58.49 -34.68 71.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.46 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.31 -32.93 72.79 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.77 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -55.57 -34.52 64.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.543 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.627 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -69.81 161.84 29.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.743 0.306 . . . . 0.0 110.618 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.26 -35.3 78.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.444 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 35.9 tp -59.11 -39.78 83.35 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.507 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.86 -40.92 90.23 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.744 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.7 m -66.07 -37.95 87.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.246 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.85 -47.33 81.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.982 -177.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 51.1 mtm -58.19 -42.49 86.23 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.916 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -66.06 -38.44 88.32 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 113.586 -1.643 . . . . 0.0 109.916 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.709 ' O ' HG23 ' B' ' 14' ' ' VAL . 45.4 m -61.76 -43.07 99.57 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.025 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.49 -43.59 96.85 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.425 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.1 mt -64.27 -42.84 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.552 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -59.72 -39.09 83.51 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.273 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.709 HG23 ' O ' ' B' ' 10' ' ' THR . 82.0 t -65.36 -43.49 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.676 ' CE1' HD23 ' B' ' 28' ' ' LEU . 73.3 t80 -59.93 -52.94 63.25 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.015 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.61 -41.0 98.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.711 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.3 98.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.737 ' HB2' HD21 ' B' ' 36' ' ' LEU . 95.2 m-70 -98.82 -49.91 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.499 ' OG ' ' CD2' ' B' ' 28' ' ' LEU . 17.1 m -59.52 -37.23 77.81 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.727 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.16 -36.38 92.28 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.416 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -59.51 -36.58 76.35 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -120.82 149.83 41.97 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.781 0.801 . . . . 0.0 112.892 -177.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.87 -148.5 49.91 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 114.618 -1.173 . . . . 0.0 112.368 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -82.82 129.55 35.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.489 -0.855 . . . . 0.0 109.894 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.506 ' C ' ' H ' ' B' ' 27' ' ' LYS . 90.9 mttt -69.1 165.14 20.94 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 60.08 0.5 0.28 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.584 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.584 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 33.1 tptt -126.96 135.7 51.25 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.676 HD23 ' CE1' ' B' ' 15' ' ' PHE . 0.7 OUTLIER -101.96 128.07 48.54 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.995 0.426 . . . . 0.0 110.711 -177.014 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 79.1 p -103.98 160.09 15.11 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.416 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -55.42 -40.15 71.11 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.405 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -59.33 -48.72 80.57 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.512 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.471 ' OE1' HD22 ' B' ' 28' ' ' LEU . 98.5 mt-10 -62.49 -38.39 89.72 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.773 -177.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.29 -42.95 99.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.157 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.585 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.9 OUTLIER -61.74 -47.12 86.66 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.919 178.133 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.424 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -69.1 -38.38 78.92 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.239 -0.584 . . . . 0.0 112.068 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.737 HD21 ' HB2' ' B' ' 18' ' ' HIS . 71.7 mt -64.36 -49.67 70.72 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 119.59 -0.844 . . . . 0.0 112.167 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.534 HD21 ' OH ' ' B' ' 74' ' ' TYR . 66.4 mt -69.8 -42.89 73.14 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.466 -0.894 . . . . 0.0 111.225 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.585 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.8 tt0 -63.83 -42.73 97.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.052 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.5 t -82.71 -46.42 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.988 -0.685 . . . . 0.0 112.43 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.504 ' OE2' ' CG1' ' B' ' 14' ' ' VAL . 95.6 mt-10 -72.89 -35.57 67.15 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 119.714 -0.794 . . . . 0.0 111.671 -178.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 77.2 mt -123.68 53.78 1.34 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.823 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -55.17 -32.39 62.11 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.603 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.57 -67.46 1.52 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.496 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -58.26 -43.39 87.86 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.675 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.3 OUTLIER -90.48 -3.79 57.4 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.543 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 53.9 p30 -20.99 77.19 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.818 0.818 . . . . 0.0 112.598 -177.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.675 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -63.86 -24.63 67.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.281 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.57 -34.81 65.1 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.403 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.517 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 72.1 mmtt -58.96 -37.67 77.3 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.517 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.2 m-20 -142.33 89.08 2.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.206 -1.361 . . . . 0.0 110.522 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.44 -39.24 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.992 0.425 . . . . 0.0 110.532 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.646 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.3 p30 -61.66 -29.61 70.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.624 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.646 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -58.14 -30.42 66.33 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.457 HG21 ' HD3' ' B' ' 34' ' ' LYS . 58.5 t -57.06 -45.63 84.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 119.549 -0.86 . . . . 0.0 109.6 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -63.31 -39.35 94.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.38 0.609 . . . . 0.0 110.261 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -60.24 -41.95 94.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.545 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 m -76.43 -37.21 30.33 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.661 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.484 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.0 OUTLIER -62.65 -34.97 78.15 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.556 178.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' B' ' 58' ' ' MET . 81.3 tttt -58.27 -40.95 83.21 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.274 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.03 -37.15 86.67 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.443 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.712 HD21 HD22 ' B' ' 77' ' ' LEU . 81.9 mt -66.4 -36.14 82.09 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.519 0.676 . . . . 0.0 110.5 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -88.93 36.22 0.81 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.722 -1.126 . . . . 0.0 113.352 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.38 -30.52 12.48 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 176.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.553 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 13.9 m120 -52.29 -30.84 30.0 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.154 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.21 4.45 56.42 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 108.569 -1.812 . . . . 0.0 108.569 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' B' ' 66' ' ' ASP . 50.8 p30 -83.59 171.89 12.87 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-O 121.74 0.781 . . . . 0.0 109.592 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -99.71 -7.45 53.41 Favored Glycine 0 C--N 1.299 -1.483 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.164 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.422 ' OE2' ' CG ' ' B' ' 27' ' ' LYS . 77.4 tt0 -116.21 150.71 37.06 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.799 0.333 . . . . 0.0 110.354 -178.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.531 ' O ' ' O ' ' B' ' 28' ' ' LEU . 58.9 t -106.68 133.25 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.584 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 87.2 m-20 -85.39 145.77 27.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.382 178.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' B' ' 75' ' ' VAL . 70.8 t80 -55.2 -39.18 69.32 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.387 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -55.46 -41.0 72.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 119.679 -0.808 . . . . 0.0 108.995 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.553 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 97.5 mt-10 -68.01 -38.73 82.94 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.068 178.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.534 ' OH ' HD21 ' B' ' 37' ' ' LEU . 86.4 t80 -62.86 -44.21 96.73 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' B' ' 71' ' ' PHE . 34.4 m -68.2 -36.15 74.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.73 -46.17 95.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 119.279 -0.968 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.712 HD22 HD21 ' B' ' 61' ' ' LEU . 28.6 tp -68.57 -41.46 79.69 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.438 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.4 p -59.08 -33.67 51.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.458 -177.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.429 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -58.82 -37.6 76.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.652 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.35 -42.7 74.91 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.376 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.472 ' N ' HD12 ' B' ' 81' ' ' LEU . 7.0 mp -65.4 -38.22 89.31 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.1 t -57.95 -40.72 81.23 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.53 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.34 -42.21 92.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.045 0.45 . . . . 0.0 110.008 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.6 76.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.014 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 71.4 m -57.14 -37.01 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -56.94 -38.61 73.15 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.645 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -53.82 -40.12 66.11 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.534 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -63.23 -37.86 88.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.046 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -59.22 -45.6 90.68 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.738 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -58.48 -34.67 71.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.459 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.29 -32.89 72.74 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -55.59 -34.53 64.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.549 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.986 -1.006 . . . . 0.0 110.638 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p -69.62 161.89 28.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.733 0.301 . . . . 0.0 110.542 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -62.13 -34.48 76.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.746 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.463 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 34.9 tp -57.69 -41.05 80.84 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.282 -177.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.78 -41.02 94.73 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.41 -0.916 . . . . 0.0 108.969 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -65.61 -37.88 87.88 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.029 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.543 ' HB1' HD21 ' B' ' 11' ' ' LEU . . . -63.04 -46.52 87.14 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.294 -178.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.7 mtm -59.37 -41.21 88.77 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 118.798 -1.161 . . . . 0.0 109.557 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 97.8 mt-10 -67.4 -38.34 84.51 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.358 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 14' ' ' VAL . 42.2 m -63.49 -45.49 90.48 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 120.161 -0.615 . . . . 0.0 111.411 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.693 HD11 HD11 ' B' ' 11' ' ' LEU . 84.7 mt -62.47 -49.08 76.81 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.827 -0.749 . . . . 0.0 111.377 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.7 mt -62.16 -43.16 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.718 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 89.7 m-20 -61.19 -39.5 90.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.014 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 10' ' ' THR . 69.8 t -67.72 -49.44 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.774 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.426 ' HD1' HD13 ' A' ' 36' ' ' LEU . 65.7 m-85 -66.56 -44.54 82.01 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.756 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.85 -40.35 95.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.075 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.53 -52.61 62.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.014 -177.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -66.18 -40.69 90.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.936 0.398 . . . . 0.0 111.688 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.5 t -58.13 -37.73 75.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.17 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.6 -32.04 72.54 Favored Glycine 0 CA--C 1.522 0.509 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.522 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -57.31 -38.22 73.67 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.938 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.511 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -136.41 145.73 45.61 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.202 0.525 . . . . 0.0 111.98 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.58 -145.51 45.07 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 115.462 -0.79 . . . . 0.0 113.043 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -83.08 133.39 35.07 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 114.52 -0.84 . . . . 0.0 111.059 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.13 -40.01 73.12 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.746 0.784 . . . . 0.0 110.517 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.51 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 62.2 m-85 -71.84 -22.49 61.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.252 -1.34 . . . . 0.0 113.897 -177.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -112.62 142.56 45.07 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.3 mt -102.89 135.75 43.99 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.07 -1.423 . . . . 0.0 107.755 174.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.8 t -100.54 159.86 14.82 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.487 ' CE ' ' OD1' ' A' ' 55' ' ' ASP . 63.7 tttm -50.11 -40.02 44.59 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 118.726 -1.19 . . . . 0.0 109.094 -177.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -62.03 -50.31 72.55 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.046 -0.662 . . . . 0.0 112.089 177.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.511 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.6 mt-10 -63.53 -40.74 97.82 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.684 -175.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.7 -40.41 96.72 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.596 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.558 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -60.28 -45.32 93.75 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.192 177.785 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.839 ' O ' HG22 ' A' ' 39' ' ' THR . 78.1 mm-40 -68.31 -38.62 81.77 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 119.59 -0.844 . . . . 0.0 112.134 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.426 HD13 ' HD1' ' A' ' 15' ' ' PHE . 26.7 mt -62.28 -51.47 67.57 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 119.666 -0.814 . . . . 0.0 111.803 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 42' ' ' SER . 61.2 mt -70.44 -43.15 70.49 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 119.293 -0.963 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.558 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.8 tt0 -57.82 -41.24 81.8 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.99 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.839 HG22 ' O ' ' A' ' 35' ' ' GLU . 13.5 t -81.9 -32.6 30.88 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 119.192 -1.003 . . . . 0.0 111.792 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.765 ' HG3' HG23 ' A' ' 39' ' ' THR . 96.3 mt-10 -109.89 -45.03 3.69 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 117.852 2.538 . . . . 0.0 117.852 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.5 mt -131.9 0.66 3.9 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.661 ' O ' ' N ' ' A' ' 46' ' ' ASP . 22.8 t -53.51 -43.1 68.03 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 117.425 -1.71 . . . . 0.0 110.742 -174.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.55 -37.97 68.62 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 119.126 -1.512 . . . . 0.0 110.579 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -56.37 -39.6 73.2 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.8 mt -91.74 -72.72 0.57 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.479 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.707 ' OD2' ' HB1' ' A' ' 53' ' ' ALA . 84.6 m-20 -109.37 -112.6 0.31 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.518 ' HB2' ' OG ' ' A' ' 42' ' ' SER . . . 31.15 -59.63 0.0 OUTLIER 'General case' 0 C--N 1.354 0.764 0 C-N-CA 126.141 1.777 . . . . 0.0 113.944 -177.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.698 ' N ' ' O ' ' A' ' 46' ' ' ASP . 94.8 mt-30 -57.02 -36.1 70.05 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.332 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -90.25 -76.91 0.42 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.096 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -98.85 122.24 41.84 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.264 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.01 -38.63 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.68 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 48.9 p30 -87.03 11.03 14.67 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -177.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.707 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -58.59 -27.83 65.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.548 HG21 ' HD3' ' A' ' 34' ' ' LYS . 69.4 t -56.17 -45.51 80.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.787 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.487 ' OD1' ' CE ' ' A' ' 30' ' ' LYS . 87.2 m-20 -63.37 -40.72 98.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.357 0.599 . . . . 0.0 110.493 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -60.98 -41.78 97.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.858 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.8 m -75.98 -38.71 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 C-N-CA 119.315 -0.954 . . . . 0.0 111.928 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.538 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 ppp? -63.07 -36.86 84.98 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.567 -0.853 . . . . 0.0 110.271 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -58.58 -40.97 84.65 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.508 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -65.04 -38.01 89.46 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.863 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.502 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 72.8 mt -66.99 -37.48 84.29 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.144 0.497 . . . . 0.0 110.495 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.85 32.94 1.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.026 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.65 -34.19 57.77 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.444 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.552 HD21 ' CG ' ' A' ' 66' ' ' ASP . 36.7 p-10 -58.71 -28.5 65.87 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.8 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.72 7.0 63.37 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.177 178.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.674 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.2 p30 -60.87 -35.15 75.85 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.734 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.674 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 93.23 -9.23 75.01 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -114.55 144.2 43.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.38 126.66 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.968 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -92.46 132.8 36.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.933 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.588 ' O ' HG23 ' A' ' 75' ' ' VAL . 86.1 t80 -50.38 -38.43 42.5 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.731 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.69 -40.5 88.08 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.561 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.502 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 99.7 mt-10 -67.29 -39.7 86.03 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.352 0.596 . . . . 0.0 110.287 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.411 ' CE2' HG21 ' A' ' 78' ' ' VAL . 81.9 t80 -63.94 -43.01 97.12 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.583 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.992 HG12 ' HB1' ' B' ' 79' ' ' ALA . 70.9 t -60.3 -42.34 90.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.031 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.0 -43.51 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.344 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.49 HD22 HD21 ' A' ' 61' ' ' LEU . 30.1 tp -63.34 -39.76 95.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.278 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 82' ' ' THR . 55.9 t -60.35 -38.75 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.301 -0.559 . . . . 0.0 111.805 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 1.01 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -59.75 -39.62 85.4 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.53 -45.94 60.95 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.068 -0.653 . . . . 0.0 112.225 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -67.32 -37.57 83.55 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -178.749 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.558 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.4 t -56.47 -41.47 76.63 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.97 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.81 -41.21 89.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.06 -31.23 72.34 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.412 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -54.82 -35.7 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.06 -179.633 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.584 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 18.7 t-20 -56.28 -36.93 69.17 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.235 0.54 . . . . 0.0 110.293 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -53.16 -36.44 60.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -59.33 -43.3 92.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -59.01 -44.7 91.73 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.702 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.584 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 86.5 m95 -58.35 -34.68 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.584 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -61.49 -32.34 72.36 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.827 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -55.13 -34.44 63.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.768 0.318 . . . . 0.0 110.581 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.552 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -69.63 161.88 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.467 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -62.26 -34.29 76.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.756 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.469 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 35.1 tp -57.92 -40.88 81.47 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.217 -177.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -60.94 -40.81 94.69 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.033 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.6 m -65.57 -38.1 88.56 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.959 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.532 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -62.94 -46.58 87.08 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.281 -178.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.7 mtm -59.33 -41.24 88.65 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 118.764 -1.175 . . . . 0.0 109.555 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 97.8 mt-10 -67.43 -38.33 84.39 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.331 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.59 ' O ' HG23 ' B' ' 14' ' ' VAL . 42.6 m -63.47 -45.49 90.54 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.173 -0.611 . . . . 0.0 111.402 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.693 HD11 HD11 ' A' ' 11' ' ' LEU . 84.7 mt -62.43 -49.11 76.75 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 119.918 -0.713 . . . . 0.0 111.379 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.7 mt -62.25 -43.04 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.736 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' B' ' 9' ' ' GLU . 89.5 m-20 -61.26 -39.52 90.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.018 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 10' ' ' THR . 69.3 t -67.73 -49.42 69.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.776 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.437 ' HD1' HD13 ' B' ' 36' ' ' LEU . 65.7 m-85 -66.48 -44.69 81.97 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.779 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.68 -40.43 94.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.101 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.66 -52.56 62.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.915 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -66.13 -40.72 90.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.932 0.396 . . . . 0.0 111.707 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 12.4 t -58.19 -37.66 75.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.166 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.67 -32.05 72.89 Favored Glycine 0 CA--C 1.521 0.454 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.483 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -57.31 -38.22 73.68 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.866 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.511 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -136.41 145.81 45.72 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.297 0.57 . . . . 0.0 111.989 179.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.48 -145.55 44.8 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-N 115.495 -0.775 . . . . 0.0 113.057 177.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -83.02 133.41 35.09 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 114.604 -0.798 . . . . 0.0 111.062 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.18 -39.95 73.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.76 0.79 . . . . 0.0 110.545 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.504 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 63.1 m-85 -71.84 -22.59 61.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.214 -1.357 . . . . 0.0 113.86 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -112.67 142.62 45.06 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.9 mt -102.95 135.7 44.14 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.002 -1.453 . . . . 0.0 107.739 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 45.9 t -100.52 159.86 14.82 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.488 ' CE ' ' OD1' ' B' ' 55' ' ' ASP . 63.7 tttm -50.09 -40.04 44.42 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 118.764 -1.174 . . . . 0.0 109.113 -177.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -62.0 -50.32 72.51 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.969 -0.693 . . . . 0.0 112.105 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.511 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.7 mt-10 -63.5 -40.77 97.95 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.652 -175.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.67 -40.44 96.82 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.636 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.556 ' HD3' HG21 ' B' ' 54' ' ' VAL . 0.3 OUTLIER -60.28 -45.31 93.79 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.245 177.77 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.829 ' O ' HG22 ' B' ' 39' ' ' THR . 78.3 mm-40 -68.24 -38.58 81.96 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 119.643 -0.823 . . . . 0.0 112.159 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.437 HD13 ' HD1' ' B' ' 15' ' ' PHE . 26.7 mt -62.32 -51.65 66.83 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.763 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' B' ' 42' ' ' SER . 61.2 mt -70.24 -43.18 71.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 119.307 -0.957 . . . . 0.0 111.137 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.509 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 63.8 tt0 -57.8 -41.21 81.69 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.983 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.829 HG22 ' O ' ' B' ' 35' ' ' GLU . 13.5 t -82.03 -32.51 30.44 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.782 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.758 ' HG3' HG23 ' B' ' 39' ' ' THR . 96.3 mt-10 -109.92 -45.06 3.69 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 -177.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 52.2 mt -131.88 0.66 3.9 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.661 ' O ' ' N ' ' B' ' 46' ' ' ASP . 22.8 t -53.48 -43.17 67.99 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 117.405 -1.718 . . . . 0.0 110.749 -174.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.48 -37.99 69.28 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 119.125 -1.512 . . . . 0.0 110.664 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -56.29 -39.62 72.99 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 35.8 mt -91.74 -72.7 0.57 Allowed 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.494 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.71 ' O ' ' N ' ' B' ' 48' ' ' GLN . 84.5 m-20 -109.39 -112.55 0.31 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.513 ' HB2' ' OG ' ' B' ' 42' ' ' SER . . . 31.08 -59.6 0.0 OUTLIER 'General case' 0 C--N 1.354 0.783 0 CA-C-N 113.281 -1.781 . . . . 0.0 114.015 -177.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.71 ' N ' ' O ' ' B' ' 46' ' ' ASP . 94.8 mt-30 -57.03 -35.96 69.91 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.62 -0.832 . . . . 0.0 110.395 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -90.36 -76.96 0.42 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.021 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -98.8 122.23 41.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.283 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.81 -38.89 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.725 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' B' ' 52' ' ' ASP . 49.1 p30 -86.99 11.2 14.17 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -177.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.708 ' HB1' ' OD2' ' B' ' 46' ' ' ASP . . . -58.76 -27.71 65.23 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.556 HG21 ' HD3' ' B' ' 34' ' ' LYS . 70.8 t -56.32 -45.34 81.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.739 -178.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.488 ' OD1' ' CE ' ' B' ' 30' ' ' LYS . 87.2 m-20 -63.4 -40.77 98.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.392 0.615 . . . . 0.0 110.471 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -60.99 -41.78 97.12 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.865 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 23.0 m -76.03 -38.64 35.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 C-N-CA 119.291 -0.963 . . . . 0.0 111.863 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.533 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 ppp? -63.03 -36.94 85.23 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.241 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -58.56 -40.93 84.46 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.522 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.19 -37.88 88.72 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.871 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.51 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 73.4 mt -67.0 -37.51 84.32 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.205 0.526 . . . . 0.0 110.492 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.88 32.89 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.052 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.54 -34.27 57.62 Favored 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.46 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.541 HD21 ' CG ' ' B' ' 66' ' ' ASP . 36.6 p-10 -58.71 -28.5 65.88 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.783 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.69 7.0 63.43 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.172 178.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.673 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.2 p30 -60.94 -35.03 75.67 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.709 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.673 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 93.25 -9.24 74.94 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -114.53 144.03 44.02 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.2 t -102.22 126.51 56.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.023 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -92.36 132.87 36.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.967 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.593 ' O ' HG23 ' B' ' 75' ' ' VAL . 86.3 t80 -50.37 -38.47 42.59 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.735 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.66 -40.43 87.7 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.582 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.51 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 99.7 mt-10 -67.35 -39.71 85.77 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.385 0.612 . . . . 0.0 110.252 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.411 ' CE2' HG21 ' B' ' 78' ' ' VAL . 81.8 t80 -63.97 -42.98 97.1 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.609 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 1.01 HG12 ' HB1' ' A' ' 79' ' ' ALA . 71.2 t -60.32 -42.35 90.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.059 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 78.8 t -61.95 -43.54 97.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 119.874 -0.731 . . . . 0.0 110.286 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.485 HD22 HD21 ' B' ' 61' ' ' LEU . 30.2 tp -63.31 -39.77 95.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.259 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.537 ' O ' HG22 ' B' ' 82' ' ' THR . 55.8 t -60.39 -38.72 78.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.894 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.992 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -59.7 -39.68 85.42 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.48 -46.0 61.02 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.201 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.563 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 0.7 OUTLIER -67.26 -37.55 83.67 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.558 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.4 t -56.46 -41.55 76.71 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.95 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.79 -41.26 89.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.96 -31.3 72.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.454 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -54.83 -35.64 64.16 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.051 -179.592 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.584 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 18.8 t-20 -56.4 -36.86 69.38 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.17 0.51 . . . . 0.0 110.228 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -53.17 -36.44 60.9 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -59.35 -43.28 92.8 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.08 -44.76 91.93 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.609 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.584 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 86.6 m95 -58.18 -34.78 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.609 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.44 -32.36 72.33 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.821 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -55.09 -34.49 63.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.777 0.322 . . . . 0.0 110.616 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.539 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.523 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 29.9 t -118.23 136.66 53.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.616 0.246 . . . . 0.0 111.271 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.3 -36.39 83.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.79 -40.19 87.48 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.847 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.4 -40.43 94.34 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.9 m -64.73 -39.32 93.44 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.386 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.46 -48.52 72.39 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.0 mtm -58.19 -40.51 81.71 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 118.697 -1.201 . . . . 0.0 109.146 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.588 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.9 mt-10 -66.77 -36.66 82.94 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.428 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.41 ' O ' HG13 ' A' ' 14' ' ' VAL . 48.0 m -61.82 -42.88 99.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.211 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.61 -44.57 96.15 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.627 0.727 . . . . 0.0 110.558 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.92 -42.46 88.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.876 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.588 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 85.8 m-20 -60.84 -40.5 93.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.244 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 10' ' ' THR . 21.1 m -75.57 -37.16 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.878 178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.608 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 2.4 t80 -63.13 -50.1 71.77 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.515 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.85 -42.24 98.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.28 -41.6 99.0 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -177.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.694 ' HB2' HD21 ' A' ' 36' ' ' LEU . 97.3 m-70 -93.54 -28.69 15.92 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -178.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.4 p -61.95 -29.6 70.34 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.392 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.05 -27.62 62.67 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-N 115.3 -0.864 . . . . 0.0 114.227 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 22' ' ' GLU . 12.8 ptpt -57.75 -44.09 85.87 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -175.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.569 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 96.4 mt-10 -147.42 160.96 41.97 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 40.44 112.22 0.0 OUTLIER Glycine 0 CA--C 1.523 0.569 0 CA-C-N 114.758 -1.11 . . . . 0.0 113.36 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 33.13 112.24 0.0 OUTLIER 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.661 0.743 . . . . 0.0 112.511 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.62 -39.0 75.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.847 0.832 . . . . 0.0 109.791 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.59 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.1 m-30 -72.39 -24.1 61.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.067 -1.424 . . . . 0.0 112.758 -176.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -121.85 151.3 40.79 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.832 0.348 . . . . 0.0 111.565 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -90.48 140.03 30.12 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.384 0.611 . . . . 0.0 111.237 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 t -93.95 154.55 17.62 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 177.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -54.23 -39.07 66.42 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 118.764 -1.175 . . . . 0.0 109.451 -177.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -60.45 -49.48 77.39 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.406 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.569 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.0 mt-10 -63.0 -39.09 93.7 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.856 -0.738 . . . . 0.0 110.425 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.46 -41.83 99.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 114.735 -1.121 . . . . 0.0 109.408 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.605 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -61.16 -46.31 91.03 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.516 177.487 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -67.78 -37.25 81.8 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.903 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 18' ' ' HIS . 60.5 mt -65.72 -46.53 78.6 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.941 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.454 HD21 ' OH ' ' A' ' 74' ' ' TYR . 67.8 mt -71.28 -46.24 61.31 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.411 -0.916 . . . . 0.0 111.368 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.605 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 64.4 tt0 -63.34 -42.71 98.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.748 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -81.67 -45.32 15.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.505 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 73.6 mm-40 -71.9 -35.92 69.85 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.928 -178.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.2 mt -124.66 65.94 1.09 Allowed 'General case' 0 C--O 1.24 0.576 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.309 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.1 p -58.82 -25.46 63.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.847 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.1 -70.05 1.33 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.809 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -58.83 -41.94 88.08 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -90.53 -4.13 57.13 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.862 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.52 ' C ' ' O ' ' A' ' 45' ' ' LEU . 21.6 t70 -26.68 87.54 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.422 0.63 . . . . 0.0 111.058 -178.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.588 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -66.05 -17.21 64.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.85 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -54.63 -36.06 64.12 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.526 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 88.3 mttt -59.66 -39.28 83.88 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.108 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.526 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.1 m-20 -142.83 87.84 2.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.071 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.47 -44.76 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.268 0.556 . . . . 0.0 111.331 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -60.02 -33.08 71.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.929 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.16 -27.68 62.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.044 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.419 ' O ' HG22 ' A' ' 57' ' ' VAL . 53.9 t -55.29 -45.61 77.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 119.586 -0.845 . . . . 0.0 109.659 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.47 -39.05 93.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.541 0.686 . . . . 0.0 110.27 177.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.77 -41.56 91.34 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.302 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 54' ' ' VAL . 24.5 m -76.35 -37.58 31.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 C-N-CA 119.381 -0.928 . . . . 0.0 111.746 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.563 ' C ' ' SD ' ' A' ' 58' ' ' MET . 0.6 OUTLIER -61.03 -37.02 81.09 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.484 -0.887 . . . . 0.0 109.706 179.061 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -57.83 -40.55 80.31 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.0 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.35 -36.2 83.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.39 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.766 HD21 HD22 ' A' ' 77' ' ' LEU . 86.5 mt -65.99 -37.41 85.87 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.589 ' OD2' ' N ' ' A' ' 66' ' ' ASP . 53.4 t0 -77.62 90.13 3.94 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.419 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.75 -38.67 89.75 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.318 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.405 ' ND2' ' HB3' ' A' ' 66' ' ' ASP . 43.6 p-10 -90.97 0.11 57.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.54 30.72 73.13 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.481 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.589 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 51.6 p30 -87.45 6.61 33.14 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.438 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 65.4 -7.96 0.82 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' A' ' 66' ' ' ASP . 84.5 tt0 -109.96 143.59 39.69 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.2 t -105.79 131.66 54.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.308 0.575 . . . . 0.0 109.893 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 54.8 t0 -98.23 147.46 24.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.516 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.608 ' CE1' ' CD2' ' A' ' 15' ' ' PHE . 81.2 t80 -51.31 -38.2 51.68 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -58.7 -39.67 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.11 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.46 ' CD ' ' O ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -67.52 -41.48 84.34 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.336 0.589 . . . . 0.0 110.639 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.454 ' OH ' HD21 ' A' ' 37' ' ' LEU . 89.4 t80 -64.99 -43.96 90.89 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.992 HG12 ' HB1' ' B' ' 79' ' ' ALA . 77.7 t -62.03 -40.98 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.878 -178.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.64 -45.14 99.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.998 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.766 HD22 HD21 ' A' ' 61' ' ' LEU . 27.7 tp -67.15 -40.91 86.76 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.1 p -57.8 -33.59 45.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 119.164 -1.015 . . . . 0.0 110.318 -178.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.971 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -60.2 -40.95 91.87 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.097 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.76 -40.36 76.14 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.283 -0.567 . . . . 0.0 111.085 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.41 -39.45 94.54 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.4 t -59.97 -40.84 90.49 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.225 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.9 -41.06 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.599 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.85 76.25 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.241 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -55.7 -37.68 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.566 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.586 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 18.7 t-20 -57.26 -39.4 75.53 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.172 0.51 . . . . 0.0 110.593 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -55.64 -36.8 67.41 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.594 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -60.83 -42.41 97.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.173 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -63.2 -44.25 95.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.666 178.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.586 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 84.7 m95 -59.74 -34.47 72.99 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.934 178.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.63 -33.8 68.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.884 0.374 . . . . 0.0 110.475 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -105.35 137.01 43.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.473 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.516 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.455 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 29.9 t -118.17 136.67 53.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.585 0.231 . . . . 0.0 111.27 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.2 -36.54 84.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 34.7 tp -59.64 -40.31 87.24 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.908 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.31 -40.48 94.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.9 m -64.62 -39.41 93.65 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.422 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.41 -48.47 72.7 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.1 mtm -58.24 -40.45 81.77 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 118.626 -1.23 . . . . 0.0 109.229 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.596 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.9 mt-10 -66.76 -36.74 83.13 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.425 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.418 ' O ' HG13 ' B' ' 14' ' ' VAL . 46.6 m -61.65 -42.99 99.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.248 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.56 -44.57 96.01 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.588 0.709 . . . . 0.0 110.656 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.86 -42.45 89.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.957 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.596 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 85.9 m-20 -60.91 -40.41 93.03 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.268 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.418 HG13 ' O ' ' B' ' 10' ' ' THR . 21.2 m -75.6 -37.17 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.907 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.603 ' CD2' ' CE1' ' B' ' 71' ' ' PHE . 2.4 t80 -63.05 -50.11 71.9 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.478 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.93 -42.2 98.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.62 98.98 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -177.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.684 ' HB2' HD21 ' B' ' 36' ' ' LEU . 97.4 m-70 -93.51 -28.68 15.93 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -178.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.8 p -61.92 -29.58 70.31 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.382 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.16 -27.48 62.74 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 115.295 -0.866 . . . . 0.0 114.245 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' B' ' 22' ' ' GLU . 12.8 ptpt -57.89 -44.04 86.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -175.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.56 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 96.4 mt-10 -147.38 160.9 42.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -179.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 40.53 112.19 0.0 OUTLIER Glycine 0 CA--C 1.523 0.538 0 CA-C-N 114.775 -1.102 . . . . 0.0 113.283 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 33.15 112.15 0.0 OUTLIER 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.673 0.749 . . . . 0.0 112.567 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -57.49 -39.1 75.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.796 0.808 . . . . 0.0 109.81 179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.596 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.1 m-30 -72.37 -24.1 61.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.019 -1.446 . . . . 0.0 112.774 -176.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -121.88 151.36 40.77 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.816 0.341 . . . . 0.0 111.574 -178.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -90.49 140.09 30.06 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.448 0.642 . . . . 0.0 111.237 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.5 t -93.99 154.58 17.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -54.29 -38.96 66.5 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.476 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -60.33 -49.64 76.78 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.404 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.56 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.1 mt-10 -63.0 -39.08 93.68 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.669 0.747 . . . . 0.0 110.506 -176.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.39 -41.92 99.02 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.431 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.588 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 0.9 OUTLIER -61.12 -46.32 91.05 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.512 177.485 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.479 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -67.9 -37.16 81.39 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.771 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.684 HD21 ' HB2' ' B' ' 18' ' ' HIS . 60.7 mt -65.77 -46.45 78.71 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.995 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.455 HD21 ' OH ' ' B' ' 74' ' ' TYR . 67.9 mt -71.29 -46.2 61.35 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.474 -0.89 . . . . 0.0 111.402 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.588 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.3 tt0 -63.31 -42.76 99.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.761 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.479 HG22 ' O ' ' B' ' 35' ' ' GLU . 1.0 OUTLIER -81.71 -45.25 15.95 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.422 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.523 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 73.6 mm-40 -71.98 -35.88 69.65 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 118.956 -1.098 . . . . 0.0 110.861 -178.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 74.3 mt -124.7 65.99 1.1 Allowed 'General case' 0 C--O 1.239 0.534 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.324 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -58.83 -25.4 63.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.921 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.11 -69.97 1.33 Allowed Glycine 0 CA--C 1.53 1.0 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.866 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -58.97 -41.79 88.4 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.6 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.7 OUTLIER -90.66 -4.1 57.03 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' B' ' 45' ' ' LEU . 21.8 t70 -26.76 87.68 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.506 0.67 . . . . 0.0 110.975 -178.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -66.08 -17.28 64.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.8 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -54.56 -36.16 64.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.521 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 88.3 mttt -59.64 -39.24 83.71 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.136 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.521 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.0 m-20 -142.82 87.87 2.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.155 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.6 -44.66 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.3 0.572 . . . . 0.0 111.317 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.02 -33.15 71.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.931 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.19 -27.59 62.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.404 . . . . 0.0 112.04 -178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.421 ' O ' HG22 ' B' ' 57' ' ' VAL . 53.9 t -55.28 -45.62 77.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.652 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.5 -39.03 93.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.529 0.681 . . . . 0.0 110.217 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -59.92 -41.41 91.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.318 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.421 HG22 ' O ' ' B' ' 54' ' ' VAL . 24.8 m -76.47 -37.39 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.71 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.564 ' C ' ' SD ' ' B' ' 58' ' ' MET . 0.6 OUTLIER -61.16 -36.97 81.22 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.421 -0.912 . . . . 0.0 109.719 179.048 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -57.79 -40.63 80.32 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 119.82 -0.752 . . . . 0.0 108.999 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.34 -36.17 83.21 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.468 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.775 HD21 HD22 ' B' ' 77' ' ' LEU . 86.5 mt -65.97 -37.36 85.78 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.59 ' OD2' ' N ' ' B' ' 66' ' ' ASP . 53.4 t0 -77.72 90.31 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.326 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.94 -38.67 89.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.212 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 43.4 p-10 -90.94 0.23 57.57 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.47 30.68 73.26 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.464 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.59 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 51.5 p30 -87.38 6.69 32.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.486 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 65.38 -7.98 0.8 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.557 ' H ' ' C ' ' B' ' 66' ' ' ASP . 84.4 tt0 -109.94 143.68 39.55 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -105.83 131.62 54.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.294 0.569 . . . . 0.0 109.843 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 54.7 t0 -98.17 147.5 24.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.492 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.603 ' CE1' ' CD2' ' B' ' 15' ' ' PHE . 81.1 t80 -51.42 -38.12 51.98 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -58.73 -39.63 81.42 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.151 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.457 ' CD ' ' O ' ' B' ' 61' ' ' LEU . 98.8 mt-10 -67.61 -41.46 83.97 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.326 0.584 . . . . 0.0 110.582 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.455 ' OH ' HD21 ' B' ' 37' ' ' LEU . 89.5 t80 -64.92 -44.1 90.61 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.971 HG12 ' HB1' ' A' ' 79' ' ' ALA . 77.8 t -61.97 -40.92 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.869 -178.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.75 -45.16 99.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.9 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.775 HD22 HD21 ' B' ' 61' ' ' LEU . 27.6 tp -67.07 -40.98 87.14 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.524 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.1 p -57.74 -33.76 46.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 C-N-CA 119.222 -0.991 . . . . 0.0 110.264 -178.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.992 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -60.01 -41.06 91.31 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.139 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.85 -40.26 75.89 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.014 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.9 mt -63.51 -39.35 94.2 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.542 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.4 t -60.03 -40.85 90.74 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 118.956 -1.098 . . . . 0.0 109.127 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.2 t -62.01 -40.94 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.86 76.32 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.264 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.542 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -55.67 -37.66 68.57 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.615 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.577 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 18.7 t-20 -57.35 -39.31 75.65 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.649 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -55.65 -36.82 67.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.592 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -60.84 -42.41 97.71 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.154 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -63.12 -44.34 95.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.661 178.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.577 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 84.8 m95 -59.72 -34.55 73.06 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.971 178.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.55 -33.86 68.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -105.26 137.01 43.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.51 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.498 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -125.35 156.62 38.43 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.968 0.413 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.88 -35.91 79.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.62 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.452 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 37.1 tp -58.79 -40.29 83.58 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.685 -178.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.19 -40.34 89.71 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.04 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -64.96 -39.17 93.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.234 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.62 87.66 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mtm -57.85 -40.86 81.13 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 118.378 -1.329 . . . . 0.0 108.746 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.606 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 98.5 mt-10 -67.57 -35.72 79.56 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.924 178.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.5 m -62.27 -44.24 96.99 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.789 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.402 ' O ' HG22 ' A' ' 14' ' ' VAL . 78.6 mt -59.76 -45.21 92.94 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.919 0.866 . . . . 0.0 110.301 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.68 -38.68 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.497 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.606 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 2.4 m120 -60.8 -40.88 94.34 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 11' ' ' LEU . 35.3 m -74.95 -39.88 45.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 119.519 -0.872 . . . . 0.0 111.073 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.588 ' CD1' HD13 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -63.43 -53.46 51.87 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.461 0.648 . . . . 0.0 111.029 178.478 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -61.78 -44.48 96.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.977 -1.01 . . . . 0.0 113.401 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.31 -52.97 41.9 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 119.846 -0.741 . . . . 0.0 112.753 -177.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.459 ' CG ' HD21 ' A' ' 36' ' ' LEU . 98.4 m-70 -69.57 -47.06 64.87 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.499 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 78.8 p -63.58 -28.52 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.426 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.79 -34.45 82.53 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.802 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.78 -41.39 86.57 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.176 -0.609 . . . . 0.0 110.975 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -153.09 160.38 42.91 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.509 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.01 34.44 52.54 Favored Glycine 0 CA--C 1.525 0.657 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.154 177.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 61.14 137.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.35 0.595 . . . . 0.0 111.219 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -58.82 -34.71 71.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.706 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 74.5 m-85 -100.85 9.61 42.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -176.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.588 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 41.8 tptt -124.62 137.55 54.37 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.589 ' O ' ' O ' ' A' ' 69' ' ' VAL . 8.0 tp -105.96 126.61 52.39 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.6 t -103.15 155.17 18.6 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.892 -0.505 . . . . 0.0 112.129 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -54.01 -40.43 67.0 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.128 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -58.91 -47.98 83.07 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.379 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 98.9 mt-10 -62.84 -41.57 99.39 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.578 -177.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.51 -40.9 98.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.068 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.707 ' HD3' HG11 ' A' ' 54' ' ' VAL . 9.0 tptp -61.48 -48.6 80.35 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.793 177.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.438 ' O ' HG22 ' A' ' 39' ' ' THR . 77.6 mm-40 -69.11 -38.98 79.2 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.518 -179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.459 HD21 ' CG ' ' A' ' 18' ' ' HIS . 89.5 mt -66.07 -47.12 75.31 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 119.701 -0.8 . . . . 0.0 112.19 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.552 HD21 ' OH ' ' A' ' 74' ' ' TYR . 50.5 mt -71.21 -44.56 65.16 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.385 -0.926 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -62.95 -42.0 99.68 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.487 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.457 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.2 t -83.06 -45.24 14.26 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.0 -0.68 . . . . 0.0 112.712 -178.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 39' ' ' THR . 95.4 mt-10 -71.68 -35.91 70.45 Favored 'General case' 0 CA--C 1.523 -0.067 0 C-N-CA 119.644 -0.822 . . . . 0.0 111.854 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 45' ' ' LEU . 61.5 mt -123.07 51.38 1.45 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.664 0.269 . . . . 0.0 110.49 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.9 p -57.9 -25.23 60.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.193 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.52 -69.64 1.35 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 121.101 -0.571 . . . . 0.0 111.742 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -58.51 -43.74 89.24 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.612 ' O ' ' N ' ' A' ' 47' ' ' ALA . 40.4 mt -93.09 -0.54 57.03 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.552 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 53.4 p30 -19.8 81.21 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 122.127 0.965 . . . . 0.0 112.183 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.612 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -64.07 -18.02 63.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.26 -1.336 . . . . 0.0 111.491 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -54.41 -34.54 61.54 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.44 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -58.89 -36.88 75.4 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.546 ' CG ' ' H ' ' A' ' 53' ' ' ALA . 63.8 t0 -142.57 96.71 2.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.048 -1.433 . . . . 0.0 111.168 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.405 ' O ' HG22 ' A' ' 54' ' ' VAL . 77.1 t -61.16 -40.53 86.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -60.7 -29.66 69.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.159 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.546 ' H ' ' CG ' ' A' ' 50' ' ' ASP . . . -52.77 -34.17 51.89 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.35 -0.54 . . . . 0.0 111.55 -176.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.707 HG11 ' HD3' ' A' ' 34' ' ' LYS . 4.2 m -60.0 -42.69 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 119.65 -0.82 . . . . 0.0 108.878 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.492 ' N ' HG23 ' A' ' 54' ' ' VAL . 56.0 t0 -64.38 -39.51 94.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.39 0.614 . . . . 0.0 110.281 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -60.18 -42.69 95.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.204 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.6 m -76.5 -36.27 28.03 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 C-N-CA 119.307 -0.957 . . . . 0.0 111.677 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.531 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.1 ppp? -62.39 -35.22 78.5 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.44 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -57.62 -40.84 80.09 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.948 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.9 -36.96 86.04 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.163 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.49 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 81.7 mt -66.5 -36.95 84.0 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.299 0.571 . . . . 0.0 110.375 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' OD1' HG22 ' A' ' 69' ' ' VAL . 99.4 m-20 -99.21 34.91 2.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.918 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -51.17 -30.3 16.38 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 121.425 0.631 . . . . 0.0 109.524 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.496 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 14.6 m120 -52.67 -34.25 51.0 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.598 -178.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.73 2.47 63.02 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 -178.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.694 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.9 p30 -61.83 -35.68 78.97 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 114.968 -0.616 . . . . 0.0 111.963 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.694 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 92.81 -6.97 77.15 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -119.3 148.49 43.11 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.589 ' O ' ' O ' ' A' ' 28' ' ' LEU . 43.6 t -110.32 133.99 53.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 CA-C-O 121.276 0.56 . . . . 0.0 111.653 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.588 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 87.4 m-20 -95.78 147.52 23.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.844 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.549 ' CZ ' ' CG1' ' A' ' 75' ' ' VAL . 87.5 t80 -53.61 -38.08 63.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.476 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.434 ' O ' HG22 ' A' ' 75' ' ' VAL . 63.1 tt0 -55.32 -40.65 71.41 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.098 -0.641 . . . . 0.0 109.513 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.496 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 98.9 mt-10 -67.17 -38.52 85.59 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.306 0.574 . . . . 0.0 109.941 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.83 ' O ' HG23 ' A' ' 78' ' ' VAL . 87.0 t80 -61.49 -43.61 98.55 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.667 ' HB ' ' HB1' ' B' ' 79' ' ' ALA . 35.1 m -67.2 -35.62 74.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.41 -46.53 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.237 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.411 ' HB2' HD21 ' A' ' 61' ' ' LEU . 31.3 tp -66.2 -38.95 89.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 74' ' ' TYR . 73.9 t -61.01 -41.11 87.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 C-N-CA 120.676 -0.409 . . . . 0.0 112.074 -178.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.672 ' HB1' ' HB ' ' B' ' 75' ' ' VAL . . . -62.2 -40.78 97.2 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.922 -178.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.96 -42.62 66.36 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.67 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -65.22 -41.93 93.93 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.868 -177.286 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 78' ' ' VAL . 1.2 t -58.71 -41.11 85.56 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.242 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.29 -41.85 91.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.48 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.27 71.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.547 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.553 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.7 OUTLIER -54.77 -35.83 64.22 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.593 -179.13 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.441 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 86.4 m-20 -56.71 -35.37 68.45 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.016 0.436 . . . . 0.0 110.273 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -53.7 -36.11 61.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.58 -43.22 93.69 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -59.73 -46.34 89.42 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.644 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -59.61 -35.25 73.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.008 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -58.66 -33.5 70.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.581 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -100.5 120.74 40.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.658 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.473 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 98.2 p -125.24 156.6 38.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.884 0.373 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.91 -35.92 79.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.677 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.445 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 37.1 tp -58.69 -40.43 83.6 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.598 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.15 -40.31 89.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.105 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -65.0 -39.14 93.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.249 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.68 87.66 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.5 mtm -57.88 -40.82 81.15 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 118.289 -1.364 . . . . 0.0 108.725 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.599 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 98.5 mt-10 -67.58 -35.79 79.68 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.897 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 55.9 m -62.09 -44.36 96.83 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.769 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.8 -45.14 93.24 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-O 121.858 0.837 . . . . 0.0 110.326 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.4 mt -66.64 -38.7 82.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.436 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.599 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 2.4 m120 -60.9 -40.91 94.88 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.007 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 35.3 m -74.88 -39.87 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 119.612 -0.835 . . . . 0.0 111.133 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.578 ' CD1' HD13 ' B' ' 28' ' ' LEU . 0.8 OUTLIER -63.54 -53.37 52.9 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.33 0.585 . . . . 0.0 110.996 178.489 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -61.82 -44.47 96.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.977 -1.011 . . . . 0.0 113.4 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.28 -53.03 41.48 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.878 -0.729 . . . . 0.0 112.714 -177.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.459 ' CG ' HD21 ' B' ' 36' ' ' LEU . 98.4 m-70 -69.6 -47.0 65.0 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 78.7 p -63.63 -28.49 69.95 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.411 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.77 -34.49 82.63 Favored Glycine 0 CA--C 1.521 0.445 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.804 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.65 -41.42 86.03 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.029 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -153.15 160.36 42.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.447 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.17 34.3 52.05 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.178 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 61.11 138.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.34 0.591 . . . . 0.0 111.283 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -58.78 -34.77 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.73 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 75.1 m-85 -100.88 9.69 42.01 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.578 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 41.7 tptt -124.66 137.55 54.36 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.593 ' O ' ' O ' ' B' ' 69' ' ' VAL . 8.0 tp -105.99 126.55 52.33 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 30.6 t -103.13 155.15 18.61 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.909 -0.495 . . . . 0.0 112.092 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -54.07 -40.4 67.15 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.063 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -58.94 -47.94 83.28 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.377 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' B' ' 36' ' ' LEU . 98.9 mt-10 -62.85 -41.59 99.41 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.579 -177.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.48 -40.84 97.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.172 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.722 ' HD3' HG11 ' B' ' 54' ' ' VAL . 9.0 tptp -61.6 -48.54 80.46 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.758 177.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.454 ' O ' HG22 ' B' ' 39' ' ' THR . 77.6 mm-40 -69.15 -38.97 79.06 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 120.291 -0.564 . . . . 0.0 112.495 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.459 HD21 ' CG ' ' B' ' 18' ' ' HIS . 89.8 mt -66.09 -47.1 75.33 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 119.674 -0.811 . . . . 0.0 112.164 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.542 HD21 ' OH ' ' B' ' 74' ' ' TYR . 50.8 mt -71.16 -44.56 65.25 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.326 -0.949 . . . . 0.0 111.158 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -62.84 -42.11 99.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.514 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.2 t -83.0 -45.24 14.31 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.712 -178.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' B' ' 39' ' ' THR . 95.4 mt-10 -71.74 -35.79 70.24 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 119.594 -0.843 . . . . 0.0 111.852 -177.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.477 HD12 ' CD1' ' B' ' 45' ' ' LEU . 61.9 mt -123.15 51.37 1.46 Allowed 'General case' 0 C--O 1.235 0.324 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.436 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.7 p -57.83 -25.25 60.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.207 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.59 -69.59 1.35 Allowed Glycine 0 CA--C 1.531 1.065 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.738 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -58.5 -43.67 89.18 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.619 ' O ' ' N ' ' B' ' 47' ' ' ALA . 40.3 mt -93.19 -0.4 56.89 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.561 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 53.8 p30 -19.81 81.19 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 122.095 0.95 . . . . 0.0 112.211 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.619 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -64.13 -18.0 64.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.412 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.29 -34.67 61.42 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.503 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -58.79 -36.97 75.32 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.55 ' CG ' ' H ' ' B' ' 53' ' ' ALA . 63.7 t0 -142.53 96.82 3.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.053 -1.43 . . . . 0.0 111.128 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.402 ' O ' HG22 ' B' ' 54' ' ' VAL . 78.0 t -61.27 -40.53 86.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -60.53 -29.83 69.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.579 -1.191 . . . . 0.0 112.265 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.55 ' H ' ' CG ' ' B' ' 50' ' ' ASP . . . -52.67 -34.11 50.34 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.58 -176.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.722 HG11 ' HD3' ' B' ' 34' ' ' LYS . 4.2 m -59.96 -42.84 90.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.492 ' N ' HG23 ' B' ' 54' ' ' VAL . 56.0 t0 -64.24 -39.58 94.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.506 0.67 . . . . 0.0 110.354 177.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -60.13 -42.6 95.16 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.306 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 20.9 m -76.56 -36.36 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 C-N-CA 119.371 -0.931 . . . . 0.0 111.592 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.531 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.1 ppp? -62.2 -35.34 78.56 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.433 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -57.56 -40.91 79.97 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.916 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.89 -36.97 86.06 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.206 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.489 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 81.6 mt -66.4 -36.95 84.14 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.379 0.609 . . . . 0.0 110.49 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.435 ' OD1' HG22 ' B' ' 69' ' ' VAL . 99.6 m-20 -99.26 34.96 2.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.963 -178.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -51.08 -30.32 15.61 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-O 121.422 0.63 . . . . 0.0 109.592 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.5 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 14.8 m120 -52.81 -34.19 52.57 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.559 -178.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.86 2.38 62.82 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 109.117 -1.593 . . . . 0.0 109.117 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.689 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.7 p30 -61.77 -35.73 78.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.04 -0.58 . . . . 0.0 112.011 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.689 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 92.78 -6.94 77.22 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -119.34 148.49 43.13 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.593 ' O ' ' O ' ' B' ' 28' ' ' LEU . 43.4 t -110.32 133.96 54.04 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-O 121.325 0.583 . . . . 0.0 111.638 -178.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.578 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 87.2 m-20 -95.79 147.47 23.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.876 178.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.55 ' CE2' ' CG1' ' B' ' 75' ' ' VAL . 87.6 t80 -53.53 -38.09 63.44 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.515 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG22 ' B' ' 75' ' ' VAL . 63.2 tt0 -55.37 -40.63 71.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.482 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.5 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.0 mt-10 -67.11 -38.54 85.82 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.325 0.583 . . . . 0.0 109.991 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.838 ' O ' HG23 ' B' ' 78' ' ' VAL . 87.0 t80 -61.44 -43.62 98.54 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.672 ' HB ' ' HB1' ' A' ' 79' ' ' ALA . 35.2 m -67.34 -35.53 73.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -178.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.44 -46.56 96.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.275 -0.97 . . . . 0.0 110.248 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.42 ' HB2' HD21 ' B' ' 61' ' ' LEU . 31.4 tp -66.18 -38.87 89.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.979 178.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.838 HG23 ' O ' ' B' ' 74' ' ' TYR . 73.0 t -60.99 -41.21 88.23 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 C-N-CA 120.615 -0.434 . . . . 0.0 112.051 -178.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.667 ' HB1' ' HB ' ' A' ' 75' ' ' VAL . . . -62.11 -40.73 96.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.997 -178.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.03 -42.5 66.26 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.675 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.48 ' O ' HD13 ' B' ' 81' ' ' LEU . 0.1 OUTLIER -65.3 -41.9 93.62 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.843 -177.246 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.699 HG22 ' O ' ' B' ' 78' ' ' VAL . 1.2 t -58.78 -41.1 85.87 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.216 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.23 -41.95 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.505 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.34 71.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.54 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.566 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.7 OUTLIER -54.64 -35.89 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.669 -179.168 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.451 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 86.3 m-20 -56.7 -35.34 68.39 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.997 0.427 . . . . 0.0 110.299 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -53.68 -36.21 61.92 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -59.45 -43.27 93.21 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.66 -46.33 89.35 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.738 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -59.61 -35.17 73.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.018 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -58.65 -33.57 70.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.6 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -100.51 120.84 40.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.632 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 32.4 m . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.502 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 p -69.55 162.12 28.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.689 0.28 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.86 -36.08 80.17 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.999 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.507 HD22 ' OE1' ' B' ' 40' ' ' GLU . 34.9 tp -59.18 -40.3 85.24 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.827 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.36 -38.62 87.64 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.3 m -65.03 -41.03 95.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.574 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.03 -50.09 65.41 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 ppp? -57.36 -42.39 81.95 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.179 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -64.81 -37.22 86.87 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.573 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.1 m -60.54 -41.68 94.97 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.734 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 14' ' ' VAL . 83.7 mt -57.17 -44.31 83.41 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 122.034 0.921 . . . . 0.0 109.547 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.451 HD13 HD21 ' B' ' 86' ' ' ASN . 76.7 mt -66.44 -39.26 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.529 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -59.73 -40.91 89.63 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.339 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 11' ' ' LEU . 34.9 m -74.42 -36.24 41.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.068 0 C-N-CA 119.944 -0.703 . . . . 0.0 109.783 178.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.694 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 91.4 t80 -58.79 -50.07 75.33 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.28 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.47 -45.29 94.89 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.87 -53.2 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -177.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.551 ' CB ' HD21 ' A' ' 36' ' ' LEU . 98.1 m-70 -68.34 -46.51 69.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 94.0 p -61.86 -32.03 72.35 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.325 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.78 -31.31 77.69 Favored Glycine 0 CA--C 1.522 0.509 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.071 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.417 ' NZ ' ' HA ' ' A' ' 18' ' ' HIS . 63.9 mttp -57.16 -38.54 73.72 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -177.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -135.92 147.95 48.33 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.829 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.33 -137.17 49.79 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.091 -0.958 . . . . 0.0 112.997 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -81.09 132.13 35.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.65 -0.775 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' O ' ' OG ' ' A' ' 19' ' ' SER . 63.8 mttp -56.25 -32.29 64.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.377 -178.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 76.6 m-85 -103.02 11.65 37.02 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -176.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.609 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 6.8 tptt -134.11 137.74 44.77 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.473 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.9 mt -95.36 139.61 31.41 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.43 0.633 . . . . 0.0 110.797 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -103.15 159.35 15.61 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -52.07 -38.86 58.54 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.673 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -61.57 -50.38 72.86 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.119 -0.633 . . . . 0.0 112.022 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.18 -41.11 99.16 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.202 -176.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.16 -41.34 99.24 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.629 -1.169 . . . . 0.0 109.363 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.606 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 2.2 tptp -60.21 -46.08 90.98 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.053 178.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 39' ' ' THR . 77.8 mm-40 -68.07 -38.51 82.48 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.962 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.551 HD21 ' CB ' ' A' ' 18' ' ' HIS . 92.8 mt -65.51 -47.16 76.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 119.464 -0.894 . . . . 0.0 112.582 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.598 HD11 ' CE1' ' A' ' 74' ' ' TYR . 7.9 mp -71.14 -43.84 66.75 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.161 -1.016 . . . . 0.0 111.55 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.606 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 63.9 tt0 -62.87 -41.66 99.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.6 t -83.45 -45.92 13.08 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.742 -178.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.537 ' C ' HD12 ' A' ' 41' ' ' LEU . 95.8 mt-10 -72.43 -34.09 67.55 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 119.953 -0.699 . . . . 0.0 111.843 -178.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 41' ' ' LEU . 6.9 mp -118.23 37.25 4.06 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.0 t -53.38 -35.52 60.43 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.34 -178.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.66 -57.31 5.5 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.648 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -64.52 -46.59 82.28 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 46' ' ' ASP . 7.1 mp -91.78 -0.48 57.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' A' ' 45' ' ' LEU . 55.9 t0 -24.21 130.92 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.752 0.787 . . . . 0.0 111.878 -177.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.541 ' O ' HG22 ' A' ' 51' ' ' VAL . . . -65.99 -17.54 64.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.341 -1.299 . . . . 0.0 111.884 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -54.47 -34.3 61.27 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.787 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -120.47 143.26 48.61 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 56.52 50.42 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.35 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 47' ' ' ALA . 49.2 t -51.69 -39.59 24.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.633 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -77.25 7.11 5.54 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.473 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.57 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -58.43 -33.66 69.93 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.612 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.6 t -59.98 -46.02 94.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.341 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.54 -43.89 97.68 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.41 0.624 . . . . 0.0 110.597 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HZ3' ' HA ' ' A' ' 53' ' ' ALA . 16.2 mtmm -62.78 -40.3 96.88 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.404 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 53' ' ' ALA . 73.1 t -66.33 -46.66 86.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.079 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.517 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.6 ppp? -67.67 -36.81 81.39 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.667 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -59.24 -43.15 92.4 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.566 -0.454 . . . . 0.0 112.035 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.65 -38.39 89.21 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.756 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.498 ' HB3' HG13 ' A' ' 69' ' ' VAL . 96.1 mt -67.6 -35.9 79.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.756 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -95.41 34.74 1.4 Allowed 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -51.05 -30.4 15.51 Favored 'General case' 0 CA--C 1.5 -0.973 0 CA-C-O 121.51 0.671 . . . . 0.0 109.204 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.529 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 12.9 m120 -53.03 -33.73 53.17 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.38 -178.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.97 2.57 60.94 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.699 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.5 p30 -61.62 -35.7 78.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.955 -0.623 . . . . 0.0 111.757 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.699 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.27 -13.25 67.69 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -122.05 151.21 41.1 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 61' ' ' LEU . 61.4 t -101.55 132.39 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -177.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.609 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 84.7 m-20 -82.7 144.29 30.33 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.287 177.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.694 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 84.3 t80 -55.35 -41.36 72.42 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.763 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.43 -41.63 85.47 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.555 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.529 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.2 mt-10 -66.42 -39.95 89.24 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.978 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.598 ' CE1' HD11 ' A' ' 37' ' ' LEU . 56.2 t80 -64.5 -42.12 96.02 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 1.033 HG12 ' HB1' ' B' ' 79' ' ' ALA . 89.9 t -60.43 -40.22 83.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.249 -178.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.0 t -64.14 -45.85 95.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.577 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.475 ' HB2' HD21 ' A' ' 61' ' ' LEU . 32.3 tp -66.86 -41.14 87.8 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.9 p -58.79 -33.59 49.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.068 -178.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 1.039 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -59.81 -40.0 86.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.03 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.76 77.05 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.792 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.53 -39.28 94.01 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 112.629 0.604 . . . . 0.0 112.629 -178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -62.3 -42.62 99.51 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 119.12 -1.032 . . . . 0.0 110.181 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.1 t -63.82 -41.8 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.149 0.499 . . . . 0.0 109.881 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.25 73.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.055 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 74.4 m -54.75 -39.97 68.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.852 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.445 HD21 HD13 ' B' ' 12' ' ' ILE . 22.8 m120 -59.53 -36.26 75.77 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.729 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -53.36 -40.58 65.04 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.369 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -63.62 -37.6 87.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.867 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.524 ' O ' ' OD1' ' A' ' 92' ' ' ASN . 61.0 t80 -59.04 -45.88 89.63 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.208 0.528 . . . . 0.0 109.827 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -59.18 -31.95 69.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.613 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -55.65 -32.88 63.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.575 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.524 ' OD1' ' O ' ' A' ' 89' ' ' PHE . 27.3 p-10 -84.24 6.3 23.28 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.495 -179.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.484 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.683 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p -69.57 162.09 28.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.731 0.3 . . . . 0.0 110.58 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.99 -36.01 80.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.919 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.504 HD22 ' OE1' ' A' ' 40' ' ' GLU . 35.1 tp -59.18 -40.28 85.17 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.86 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.35 -38.65 87.71 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.308 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.1 m -64.97 -41.01 95.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.592 178.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.03 -50.11 65.34 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' B' ' 9' ' ' GLU . 1.3 ppp? -57.28 -42.46 81.7 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.221 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.4 ' N ' ' SD ' ' B' ' 8' ' ' MET . 83.9 tt0 -64.86 -37.13 86.58 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.563 178.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.8 m -60.62 -41.62 95.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.762 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.447 ' O ' HG22 ' B' ' 14' ' ' VAL . 83.6 mt -57.11 -44.39 83.19 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 122.035 0.922 . . . . 0.0 109.557 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.445 HD13 HD21 ' A' ' 86' ' ' ASN . 76.5 mt -66.42 -39.27 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.483 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -59.8 -40.8 89.58 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.392 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.447 HG22 ' O ' ' B' ' 11' ' ' LEU . 35.0 m -74.49 -36.3 41.26 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.057 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.707 178.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.692 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 91.5 t80 -58.83 -50.0 75.61 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.225 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.54 -45.29 94.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.84 -53.15 23.05 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.554 ' CB ' HD21 ' B' ' 36' ' ' LEU . 98.1 m-70 -68.37 -46.53 69.82 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 94.5 p -61.89 -31.97 72.31 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.348 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.86 -31.14 77.27 Favored Glycine 0 CA--C 1.523 0.59 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.075 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' B' ' 18' ' ' HIS . 64.0 mttp -57.29 -38.52 74.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -135.91 147.97 48.36 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.835 0.679 . . . . 0.0 112.835 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.28 -137.21 49.69 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 115.033 -0.985 . . . . 0.0 113.008 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -81.11 132.1 35.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 114.604 -0.798 . . . . 0.0 110.84 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.45 ' O ' ' OG ' ' B' ' 19' ' ' SER . 63.8 mttp -56.21 -32.28 64.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.377 -178.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 76.9 m-85 -103.08 11.67 36.89 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -176.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.581 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 6.8 tptt -134.17 137.78 44.69 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.403 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 85.1 mt -95.37 139.57 31.47 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.419 0.628 . . . . 0.0 110.779 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.2 m -103.12 159.3 15.65 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -52.03 -38.78 58.14 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 118.767 -1.173 . . . . 0.0 108.783 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -61.66 -50.27 73.17 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.075 -0.65 . . . . 0.0 112.064 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.13 -41.17 99.26 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.19 -176.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.11 -41.45 99.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.344 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.608 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 2.2 tptp -60.21 -46.06 91.04 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.974 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.451 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -68.19 -38.44 81.98 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.898 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.554 HD21 ' CB ' ' B' ' 18' ' ' HIS . 92.9 mt -65.52 -47.18 76.84 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 119.467 -0.893 . . . . 0.0 112.591 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.595 HD11 ' CE1' ' B' ' 74' ' ' TYR . 7.9 mp -71.08 -43.9 66.8 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.226 -0.99 . . . . 0.0 111.516 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.608 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.0 tt0 -62.9 -41.64 99.5 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.6 t -83.45 -45.99 13.02 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.041 -0.664 . . . . 0.0 112.677 -178.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.532 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.8 mt-10 -72.46 -34.0 67.44 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.841 -178.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.555 ' N ' HD12 ' B' ' 41' ' ' LEU . 6.9 mp -118.16 37.05 4.12 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 21.0 t -53.27 -35.54 60.16 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.351 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.72 -57.25 5.49 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.675 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -64.44 -46.56 82.64 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -178.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' B' ' 46' ' ' ASP . 7.1 mp -91.9 -0.44 57.5 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' B' ' 45' ' ' LEU . 55.8 t0 -24.22 130.86 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.735 0.778 . . . . 0.0 111.954 -177.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.534 ' O ' HG22 ' B' ' 51' ' ' VAL . . . -65.91 -17.57 64.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.869 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -54.48 -34.29 61.3 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.751 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -120.43 143.22 48.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 56.53 50.53 12.75 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.285 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.534 HG22 ' O ' ' B' ' 47' ' ' ALA . 48.9 t -51.8 -39.48 24.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.691 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -77.19 7.04 5.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.504 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.566 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -58.35 -33.69 69.83 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.596 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.04 -46.05 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.282 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.54 -43.85 97.79 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.64 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.416 ' HZ3' ' HA ' ' B' ' 53' ' ' ALA . 16.2 mtmm -62.73 -40.42 97.13 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.365 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 53' ' ' ALA . 72.5 t -66.31 -46.58 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.187 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.512 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.6 ppp? -67.72 -36.83 81.32 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.666 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -59.13 -43.28 91.98 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.535 -0.466 . . . . 0.0 112.095 -178.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.48 -38.43 89.75 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.789 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.507 ' HB3' HG13 ' B' ' 69' ' ' VAL . 96.0 mt -67.59 -35.95 79.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.736 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -95.43 34.73 1.41 Allowed 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.95 -30.54 15.16 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.531 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 12.6 m120 -52.96 -33.63 52.08 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.489 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.95 2.48 61.01 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 108.849 -1.7 . . . . 0.0 108.849 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.688 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.4 p30 -61.61 -35.74 78.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.99 -0.605 . . . . 0.0 111.801 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.688 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.4 -13.26 67.63 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -122.07 151.17 41.16 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.507 HG13 ' HB3' ' B' ' 61' ' ' LEU . 61.2 t -101.6 132.37 47.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -177.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.581 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 84.8 m-20 -82.67 144.28 30.37 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.236 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.692 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 84.2 t80 -55.42 -41.31 72.6 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.757 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.41 -41.67 85.47 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.46 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.531 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.2 mt-10 -66.53 -39.89 88.85 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.916 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.595 ' CE1' HD11 ' B' ' 37' ' ' LEU . 56.4 t80 -64.44 -42.19 96.14 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 1.039 HG12 ' HB1' ' A' ' 79' ' ' ALA . 90.2 t -60.47 -40.17 83.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.211 -178.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 63.8 t -64.17 -45.74 95.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.609 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.49 ' HB2' HD21 ' B' ' 61' ' ' LEU . 32.4 tp -67.04 -41.06 87.16 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -178.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.476 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.9 p -58.78 -33.53 49.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.109 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 1.033 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -59.77 -40.07 87.01 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.012 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.42 -40.78 77.07 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.778 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.444 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 69.1 mt -63.54 -39.22 93.84 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -178.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -62.3 -42.68 99.56 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.21 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 94.9 t -63.87 -41.7 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.115 0.483 . . . . 0.0 109.892 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.29 73.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.04 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 74.7 m -54.81 -39.98 69.05 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.84 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.451 HD21 HD13 ' A' ' 12' ' ' ILE . 22.7 m120 -59.37 -36.39 75.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.721 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -53.32 -40.62 64.96 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.469 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -63.51 -37.63 88.05 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.948 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.527 ' O ' ' OD1' ' B' ' 92' ' ' ASN . 61.3 t80 -59.06 -45.89 89.64 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.159 0.504 . . . . 0.0 109.764 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -59.09 -32.12 69.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.565 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -55.57 -32.94 63.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.629 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.527 ' OD1' ' O ' ' B' ' 89' ' ' PHE . 27.2 p-10 -84.14 6.27 23.08 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.6 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.548 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.533 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 58.8 p -69.67 160.44 31.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.678 0.275 . . . . 0.0 110.647 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -63.19 -35.96 82.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.062 0.458 . . . . 0.0 110.36 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.528 HD23 ' C ' ' A' ' 4' ' ' LEU . 8.5 tt -60.08 -42.74 95.26 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.344 -177.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.51 -40.16 93.62 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 119.809 -0.756 . . . . 0.0 109.122 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.3 m -63.97 -38.11 89.89 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.338 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.24 96.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.315 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mtm -57.49 -41.26 80.37 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 117.851 -1.539 . . . . 0.0 108.857 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.585 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 98.4 mt-10 -68.47 -36.92 79.66 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.639 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.9 m -62.54 -44.24 96.84 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.401 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' O ' ' CD2' ' A' ' 15' ' ' PHE . 84.4 mt -59.9 -46.79 88.23 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.81 0.815 . . . . 0.0 110.391 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.438 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 81.0 mt -64.32 -39.73 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.308 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 2.4 m120 -60.62 -40.49 92.08 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.361 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 15' ' ' PHE . 26.9 m -76.53 -47.41 29.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 119.407 -0.917 . . . . 0.0 112.481 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.433 ' N ' HG23 ' A' ' 14' ' ' VAL . 59.3 m-85 -66.32 -42.41 88.28 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 119.735 -0.786 . . . . 0.0 110.6 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 85.7 t60 -61.29 -45.29 95.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.748 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.52 -52.0 36.84 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.617 ' HB2' HD11 ' A' ' 36' ' ' LEU . 83.5 m-70 -62.47 -42.97 99.86 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.1 p -61.6 -30.99 71.04 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.02 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.36 -33.25 80.04 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -57.9 -38.55 76.02 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.207 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.499 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.3 mm-40 -131.66 148.42 52.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.933 0.397 . . . . 0.0 111.174 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.98 -162.6 2.39 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -71.59 143.86 49.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.848 0.356 . . . . 0.0 111.006 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -58.94 -39.94 83.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.766 0.794 . . . . 0.0 110.803 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.578 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.0 m-30 -72.18 -23.93 61.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.187 -1.369 . . . . 0.0 112.803 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -113.31 142.21 46.11 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 28' ' ' LEU . 83.7 mt -104.15 133.58 48.84 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 113.515 -1.675 . . . . 0.0 106.962 173.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.2 m -100.9 164.16 11.96 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.554 ' CE ' ' OD1' ' A' ' 55' ' ' ASP . 63.5 tttm -52.23 -42.57 63.7 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 118.713 -1.195 . . . . 0.0 110.09 -177.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.94 -49.39 76.34 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.864 -0.734 . . . . 0.0 112.003 177.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.499 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.8 mt-10 -62.45 -39.59 93.86 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.569 -175.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.426 HD21 HD12 ' A' ' 37' ' ' LEU . 9.3 tt -62.61 -40.49 97.13 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 114.475 -1.238 . . . . 0.0 109.308 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.601 ' HD3' HG21 ' A' ' 54' ' ' VAL . 7.4 tptp -60.61 -48.32 82.29 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.665 177.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.438 ' O ' HG22 ' A' ' 39' ' ' THR . 77.6 mm-40 -68.25 -37.04 80.36 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.884 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' A' ' 18' ' ' HIS . 1.5 mm? -67.65 -50.66 56.76 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.016 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.538 HD21 ' OH ' ' A' ' 74' ' ' TYR . 47.0 mt -69.41 -40.1 77.51 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 119.663 -0.815 . . . . 0.0 111.099 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' ' 34' ' ' LYS . 51.9 tt0 -63.13 -42.08 99.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.221 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 3.2 t -83.87 -44.54 14.18 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.155 -0.618 . . . . 0.0 112.426 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.579 ' C ' HD12 ' A' ' 41' ' ' LEU . 78.0 mm-40 -70.93 -34.78 71.84 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.284 -178.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.579 HD12 ' C ' ' A' ' 40' ' ' GLU . 7.0 mp -123.49 48.42 1.85 Allowed 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.291 179.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -57.14 -25.11 58.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.776 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.96 -68.72 1.29 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.461 ' CE1' ' HA ' ' A' ' 85' ' ' CYS . 75.0 t80 -57.94 -45.44 86.6 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -177.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 46' ' ' ASP . 71.9 mt -93.39 -0.72 56.44 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.534 ' C ' ' O ' ' A' ' 45' ' ' LEU . 58.4 t0 -25.94 118.02 0.07 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.358 0.599 . . . . 0.0 111.23 -178.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.39 -22.41 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.738 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -55.52 -35.28 65.46 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.488 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -59.38 -41.6 89.74 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.741 ' HB3' ' HB2' ' A' ' 53' ' ' ALA . 60.6 t0 -147.39 119.68 8.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.235 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.27 -40.49 89.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 48.9 p30 -89.77 9.11 28.55 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.741 ' HB2' ' HB3' ' A' ' 50' ' ' ASP . . . -60.7 -33.34 72.73 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.82 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.601 HG21 ' HD3' ' A' ' 34' ' ' LYS . 77.1 t -60.24 -44.78 96.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -177.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.554 ' OD1' ' CE ' ' A' ' 30' ' ' LYS . 83.8 m-20 -60.69 -43.43 97.74 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.755 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -63.05 -38.35 90.83 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.477 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 53' ' ' ALA . 60.0 t -64.01 -48.25 86.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.174 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.711 ' HA ' HD23 ' A' ' 61' ' ' LEU . 2.9 ppp? -74.58 -38.3 62.69 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-O 122.315 1.055 . . . . 0.0 113.308 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' N ' ' CG ' ' A' ' 58' ' ' MET . 54.6 tptt -63.0 -42.78 99.94 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 114.745 -1.116 . . . . 0.0 113.823 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.16 -32.44 72.71 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.026 HD11 HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -68.15 -39.34 82.65 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 110.604 -2.998 . . . . 0.0 111.424 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.481 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 52.6 t0 -82.61 92.25 7.1 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 118.93 -1.108 . . . . 0.0 110.92 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -67.41 -39.14 85.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.102 0.477 . . . . 0.0 112.121 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.486 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 23.4 m120 -59.02 -37.16 76.29 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.564 -0.743 . . . . 0.0 112.394 -177.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.37 4.99 80.05 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 107.665 -2.174 . . . . 0.0 107.665 -177.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.2 p30 -62.41 -32.44 73.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 113.773 -1.214 . . . . 0.0 112.594 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.662 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.94 -10.3 62.08 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.513 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 84.3 tt0 -112.25 140.85 46.62 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.026 HG13 HD11 ' A' ' 61' ' ' LEU . 69.4 t -102.66 131.28 51.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.688 0.756 . . . . 0.0 112.563 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -90.08 145.47 25.04 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.332 -1.304 . . . . 0.0 107.968 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.535 ' O ' HG13 ' A' ' 75' ' ' VAL . 72.6 t80 -54.43 -39.44 67.36 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.728 -0.789 . . . . 0.0 109.64 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.42 -39.7 88.36 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.289 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.486 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.5 mt-10 -68.4 -41.15 80.89 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.005 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.538 ' OH ' HD21 ' A' ' 37' ' ' LEU . 62.1 t80 -64.79 -43.34 93.54 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 71' ' ' PHE . 20.3 m -65.64 -35.9 76.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.863 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.457 HG13 HG13 ' B' ' 76' ' ' VAL . 68.3 t -61.64 -45.24 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.184 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.429 HD22 ' HB2' ' A' ' 61' ' ' LEU . 33.7 tp -65.19 -39.77 93.3 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.647 179.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.456 HG21 ' CE2' ' A' ' 74' ' ' TYR . 49.7 t -62.16 -38.17 80.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -56.01 -39.46 71.94 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.105 -177.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.1 -42.9 75.51 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.407 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.39 -38.02 89.58 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.557 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER -60.09 -38.01 81.64 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 119.571 -0.852 . . . . 0.0 110.052 -179.445 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.03 -42.95 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.45 -34.54 78.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.443 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.557 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -59.54 -33.15 71.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.286 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -54.87 -36.99 65.69 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.867 0.365 . . . . 0.0 110.806 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -52.87 -38.52 61.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.05 -42.84 91.26 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.18 -45.5 90.88 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.917 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -58.44 -34.8 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.134 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.45 -33.65 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.693 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -55.68 -34.6 65.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.648 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.596 -179.921 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.517 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 58.4 p -69.66 160.46 31.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.633 0.254 . . . . 0.0 110.726 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -63.19 -35.94 81.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.042 0.449 . . . . 0.0 110.375 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.522 ' C ' HD23 ' B' ' 4' ' ' LEU . 8.5 tt -60.09 -42.76 95.32 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.398 -177.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.55 -40.1 93.47 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 119.763 -0.775 . . . . 0.0 109.163 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.0 m -64.01 -38.09 89.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.348 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.24 96.14 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.242 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mtm -57.51 -41.2 80.33 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 117.866 -1.534 . . . . 0.0 108.845 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.588 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 98.4 mt-10 -68.5 -36.93 79.6 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.659 178.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.3 m -62.56 -44.26 96.78 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.394 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -59.84 -46.78 88.19 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.734 0.778 . . . . 0.0 110.434 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' B' ' 16' ' ' HIS . 80.7 mt -64.36 -39.68 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.379 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.588 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 2.3 m120 -60.67 -40.44 92.09 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.364 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.431 HG23 ' N ' ' B' ' 15' ' ' PHE . 26.8 m -76.63 -47.31 29.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 119.367 -0.933 . . . . 0.0 112.454 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.431 ' N ' HG23 ' B' ' 14' ' ' VAL . 58.8 m-85 -66.37 -42.31 88.17 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.625 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.44 ' CB ' ' O ' ' B' ' 12' ' ' ILE . 85.7 t60 -61.36 -45.29 95.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.705 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.65 -51.89 37.14 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.634 ' HB2' HD11 ' B' ' 36' ' ' LEU . 83.3 m-70 -62.44 -42.94 99.82 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 85.3 p -61.62 -30.96 71.04 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.012 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.44 -33.19 80.22 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.382 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -57.79 -38.59 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.168 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.506 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.2 mm-40 -131.77 148.47 52.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.943 0.401 . . . . 0.0 111.127 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.8 -162.52 2.31 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -71.58 143.8 49.73 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.474 -0.363 . . . . 0.0 111.057 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -58.79 -40.02 82.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.763 0.792 . . . . 0.0 110.784 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.0 m-30 -72.22 -23.87 61.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.257 -1.338 . . . . 0.0 112.779 -175.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -113.35 142.25 46.09 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 28' ' ' LEU . 84.1 mt -104.11 133.56 48.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 113.617 -1.629 . . . . 0.0 106.992 173.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 41.1 m -100.96 164.1 11.98 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.56 ' CE ' ' OD1' ' B' ' 55' ' ' ASP . 63.4 tttm -52.18 -42.61 63.59 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 118.728 -1.189 . . . . 0.0 110.07 -177.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.94 -49.37 76.42 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.987 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.506 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.8 mt-10 -62.48 -39.55 93.82 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.613 -175.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.437 HD21 HD12 ' B' ' 37' ' ' LEU . 9.3 tt -62.56 -40.54 97.17 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.334 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.581 ' HD3' HG21 ' B' ' 54' ' ' VAL . 7.4 tptp -60.56 -48.41 81.89 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.66 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.435 ' O ' HG22 ' B' ' 39' ' ' THR . 77.7 mm-40 -68.17 -37.05 80.55 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.114 -0.635 . . . . 0.0 111.911 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.634 HD11 ' HB2' ' B' ' 18' ' ' HIS . 1.5 mm? -67.65 -50.71 56.54 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.988 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.54 HD21 ' OH ' ' B' ' 74' ' ' TYR . 47.4 mt -69.37 -40.15 77.63 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.127 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.411 ' CB ' ' O ' ' B' ' 34' ' ' LYS . 51.9 tt0 -63.1 -42.01 99.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.189 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.482 HG23 ' N ' ' B' ' 40' ' ' GLU . 3.2 t -83.91 -44.61 14.07 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.146 -0.621 . . . . 0.0 112.415 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.575 ' C ' HD12 ' B' ' 41' ' ' LEU . 78.0 mm-40 -70.9 -34.75 71.88 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.319 -178.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.575 HD12 ' C ' ' B' ' 40' ' ' GLU . 6.9 mp -123.51 48.32 1.87 Allowed 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.354 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 86.6 p -56.98 -25.21 57.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.837 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.97 -68.66 1.29 Allowed Glycine 0 CA--C 1.531 1.088 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.456 ' CE1' ' HA ' ' B' ' 85' ' ' CYS . 75.1 t80 -57.98 -45.41 86.81 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.53 ' O ' ' C ' ' B' ' 46' ' ' ASP . 71.8 mt -93.29 -0.89 56.57 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.53 ' C ' ' O ' ' B' ' 45' ' ' LEU . 58.3 t0 -25.8 118.03 0.07 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.354 0.597 . . . . 0.0 111.287 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.43 -22.41 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.795 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -55.52 -35.33 65.51 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.582 -178.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -59.27 -41.71 89.5 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.73 ' HB3' ' HB2' ' B' ' 53' ' ' ALA . 60.6 t0 -147.29 119.64 8.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.257 178.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.22 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' B' ' 52' ' ' ASP . 48.9 p30 -89.78 9.05 28.79 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -178.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.73 ' HB2' ' HB3' ' B' ' 50' ' ' ASP . . . -60.65 -33.43 72.8 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.827 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.581 HG21 ' HD3' ' B' ' 34' ' ' LYS . 77.6 t -60.13 -44.85 96.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.56 ' OD1' ' CE ' ' B' ' 30' ' ' LYS . 83.8 m-20 -60.65 -43.35 97.71 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.816 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -63.13 -38.4 91.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.406 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 53' ' ' ALA . 59.1 t -63.99 -48.24 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.217 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.705 ' HA ' HD23 ' B' ' 61' ' ' LEU . 2.9 ppp? -74.55 -38.37 62.74 Favored 'General case' 0 C--O 1.206 -1.211 0 CA-C-O 122.236 1.017 . . . . 0.0 113.259 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.422 ' N ' ' CG ' ' B' ' 58' ' ' MET . 54.7 tptt -62.95 -42.78 99.92 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.767 -1.106 . . . . 0.0 113.803 -176.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.13 -32.43 72.7 Favored 'General case' 0 CA--C 1.489 -1.374 0 CA-C-O 123.652 1.691 . . . . 0.0 106.496 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 1.014 HD11 HG13 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -68.19 -39.32 82.53 Favored 'General case' 0 N--CA 1.422 -1.827 0 CA-C-N 110.556 -3.02 . . . . 0.0 111.436 179.758 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.492 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 52.6 t0 -82.61 92.31 7.11 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 118.982 -1.087 . . . . 0.0 110.921 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -67.5 -39.06 85.18 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.05 0.452 . . . . 0.0 112.11 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.495 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 23.5 m120 -59.1 -37.15 76.48 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.271 -176.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.33 5.07 80.08 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 -177.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.2 p30 -62.45 -32.55 73.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 113.723 -1.239 . . . . 0.0 112.477 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.662 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 99.01 -10.36 61.96 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -178.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.522 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 84.3 tt0 -112.23 140.9 46.55 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 1.014 HG13 HD11 ' B' ' 61' ' ' LEU . 69.6 t -102.67 131.27 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.637 0.732 . . . . 0.0 112.553 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -90.15 145.48 25.01 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 114.333 -1.303 . . . . 0.0 107.897 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.541 ' O ' HG13 ' B' ' 75' ' ' VAL . 72.6 t80 -54.42 -39.47 67.36 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 119.72 -0.792 . . . . 0.0 109.625 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.33 -39.65 87.82 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.369 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.495 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.5 mt-10 -68.51 -41.0 80.59 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.037 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.54 ' OH ' HD21 ' B' ' 37' ' ' LEU . 61.6 t80 -64.97 -43.22 93.34 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.541 HG13 ' O ' ' B' ' 71' ' ' PHE . 20.0 m -65.65 -35.93 76.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.921 -178.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.457 HG13 HG13 ' A' ' 76' ' ' VAL . 68.9 t -61.61 -45.26 99.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 119.715 -0.794 . . . . 0.0 110.204 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.443 HD22 ' HB2' ' B' ' 61' ' ' LEU . 33.6 tp -65.13 -39.89 93.69 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.603 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.451 HG21 ' CE2' ' B' ' 74' ' ' TYR . 49.9 t -62.01 -38.27 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.41 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -55.98 -39.5 71.9 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.067 -177.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.11 -42.84 75.56 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.394 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.39 -38.1 89.83 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.529 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 0.9 OUTLIER -60.16 -37.95 81.7 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.035 -179.409 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.0 -43.01 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.62 78.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.419 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -59.46 -33.14 70.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.251 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -54.84 -37.03 65.66 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 120.936 0.398 . . . . 0.0 110.792 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -52.95 -38.46 62.04 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.07 -42.95 91.59 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.07 -45.44 90.81 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.966 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -58.49 -34.7 71.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.187 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.54 -33.66 68.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.718 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -55.66 -34.55 65.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.675 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.504 -179.849 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p -69.68 162.34 27.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.705 0.288 . . . . 0.0 110.599 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.04 -35.21 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.212 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.533 HD22 ' OE1' ' B' ' 40' ' ' GLU . 29.7 tp -59.14 -39.57 82.8 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.16 -179.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.28 -40.81 87.28 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 119.512 -0.875 . . . . 0.0 108.753 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.4 m -65.91 -37.7 86.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.83 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.11 -46.22 88.37 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.69 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.4 mtm -58.55 -40.48 83.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 118.844 -1.142 . . . . 0.0 109.064 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.585 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.8 mt-10 -67.17 -37.23 83.37 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.85 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.9 m -62.23 -43.72 98.18 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.08 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.29 -44.88 95.51 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.009 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.82 -43.88 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.886 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 85.7 m-20 -59.99 -39.18 84.83 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.309 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 10' ' ' THR . 76.0 t -65.44 -42.88 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -59.94 -49.1 79.02 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.177 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.26 -39.87 94.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.457 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.7 98.55 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.694 ' HB2' HD21 ' A' ' 36' ' ' LEU . 94.7 m-70 -100.86 -33.1 10.36 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -177.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.484 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 86.4 p -60.74 -29.35 69.33 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.971 -178.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.4 -27.51 63.36 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 115.476 -0.784 . . . . 0.0 114.537 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 22' ' ' GLU . 16.6 ptpt -56.76 -43.59 80.91 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.416 1.108 . . . . 0.0 112.343 -176.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 76.8 mm-40 -135.54 143.28 45.63 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.356 0.598 . . . . 0.0 111.717 178.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.86 -167.52 54.86 Favored Glycine 0 CA--C 1.518 0.268 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -72.8 143.49 47.87 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.8 -38.68 82.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.272 1.034 . . . . 0.0 108.792 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 68.9 m-85 -71.56 -21.14 61.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.017 -1.901 . . . . 0.0 113.129 -178.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HZ1' ' CD ' ' A' ' 68' ' ' GLU . 23.1 tptm -112.27 140.54 46.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 109.944 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.612 HD23 ' N ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -96.76 132.58 42.32 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.635 -177.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.612 ' N ' HD23 ' A' ' 28' ' ' LEU . 49.0 m -102.72 152.83 20.76 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.437 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 76.6 tttt -56.39 -42.12 77.41 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.175 -178.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -59.83 -49.11 78.98 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.828 0.823 . . . . 0.0 110.718 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.552 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.6 mt-10 -61.69 -37.62 84.82 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.392 -177.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.435 HD21 ' CD1' ' A' ' 61' ' ' LEU . 62.8 tp -63.29 -43.18 98.62 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.988 178.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.559 ' HZ1' HE22 ' A' ' 38' ' ' GLN . 6.9 tptp -59.94 -42.2 93.5 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.613 177.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.416 ' O ' HG22 ' A' ' 39' ' ' THR . 78.4 mm-40 -69.42 -39.14 78.07 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.416 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 18' ' ' HIS . 89.1 mt -66.42 -48.87 68.65 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 119.213 -0.995 . . . . 0.0 112.189 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.0 mt -68.8 -42.33 77.45 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.309 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.559 HE22 ' HZ1' ' A' ' 34' ' ' LYS . 51.5 tt0 -63.67 -42.35 98.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.489 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.1 t -85.18 -46.28 11.23 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.584 -0.846 . . . . 0.0 112.335 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.559 ' C ' HD12 ' A' ' 41' ' ' LEU . 96.0 mt-10 -73.29 -33.77 65.38 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.231 -0.587 . . . . 0.0 112.039 -178.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.563 HD23 HD13 ' A' ' 45' ' ' LEU . 6.9 mp -121.4 41.35 3.36 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.053 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -54.25 -32.16 55.33 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.157 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.75 -64.86 1.59 Allowed Glycine 0 CA--C 1.533 1.158 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.549 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -57.86 -44.45 86.59 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.563 HD13 HD23 ' A' ' 41' ' ' LEU . 8.4 mp -94.87 -0.93 53.61 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.539 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.0 t0 -22.77 100.42 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.73 0.776 . . . . 0.0 111.485 -177.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' ASP . . . -64.16 -21.8 66.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 114.23 -1.35 . . . . 0.0 111.928 -179.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.99 -35.34 64.24 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.536 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.502 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 75.1 mmtt -59.81 -37.85 80.31 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.502 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.6 m-20 -141.03 101.29 4.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.332 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.35 -40.85 89.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -84.17 -1.09 54.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HB2' ' CB ' ' A' ' 50' ' ' ASP . . . -61.03 -30.13 70.13 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.894 -178.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.411 HG21 ' HD3' ' A' ' 34' ' ' LYS . 63.9 t -57.84 -45.42 87.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.513 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.437 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 89.9 m-20 -62.59 -41.47 98.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.447 0.641 . . . . 0.0 110.365 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -59.83 -39.49 85.29 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.786 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.47 -44.14 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.015 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.5 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.0 ppp? -63.81 -38.47 91.23 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.761 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 58' ' ' MET . 95.9 mttt -59.01 -38.83 80.15 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.699 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.93 -37.05 86.34 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.786 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.486 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 96.2 mt -67.08 -37.02 83.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.753 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.63 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 51.5 t0 -76.06 85.96 2.94 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.439 -0.905 . . . . 0.0 110.53 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -66.9 -39.4 87.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.85 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 66' ' ' ASP . 43.9 p-10 -89.23 0.39 56.8 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -177.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.458 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 74.93 11.23 83.85 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.949 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.2 p30 -62.9 -33.27 74.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.733 0.301 . . . . 0.0 111.8 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 97.21 -5.01 62.84 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.531 ' CD ' ' HZ1' ' A' ' 27' ' ' LYS . 80.0 tt0 -115.47 148.42 39.47 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.49 ' O ' ' O ' ' A' ' 28' ' ' LEU . 48.4 t -106.09 133.84 49.38 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-O 121.708 0.766 . . . . 0.0 112.771 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.6 t0 -103.4 149.09 25.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.266 178.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.457 ' O ' HG13 ' A' ' 75' ' ' VAL . 65.9 t80 -52.72 -39.87 62.46 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.336 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.24 -40.66 78.04 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.009 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.486 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.3 mt-10 -67.41 -41.19 85.31 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.419 0.628 . . . . 0.0 111.068 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.417 ' HA ' HD22 ' A' ' 61' ' ' LEU . 91.2 t80 -64.77 -42.18 95.31 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -178.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 71' ' ' PHE . 32.1 m -64.12 -37.16 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -176.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 77' ' ' LEU . 33.9 m -72.69 -43.11 62.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 118.745 -1.182 . . . . 0.0 111.745 -179.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.425 HD23 HD21 ' A' ' 61' ' ' LEU . 31.6 tp -68.32 -40.92 81.49 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 p -59.23 -33.14 49.86 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.738 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -58.69 -37.49 76.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.262 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.02 -42.2 76.71 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.138 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 81' ' ' LEU . 7.1 mp -65.09 -38.71 91.62 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -179.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.1 t -58.62 -40.27 82.82 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 118.895 -1.122 . . . . 0.0 109.509 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.58 -41.25 89.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.0 74.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.017 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.2 m -55.59 -34.33 64.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.595 ' OD1' ' NE1' ' A' ' 90' ' ' TRP . 19.1 t-20 -55.02 -37.56 66.79 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.044 0.45 . . . . 0.0 110.47 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -53.21 -38.78 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -58.96 -42.64 90.38 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -58.78 -45.78 89.03 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.557 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.595 ' NE1' ' OD1' ' A' ' 86' ' ' ASN . 90.5 m95 -59.15 -34.56 72.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.199 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.64 -33.4 68.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.454 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -100.23 120.06 39.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.605 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 56.4 p -69.7 162.37 27.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.565 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.99 -35.25 77.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.222 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.528 HD22 ' OE1' ' A' ' 40' ' ' GLU . 29.5 tp -59.1 -39.53 82.52 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.205 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.4 -40.86 87.97 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 119.463 -0.895 . . . . 0.0 108.629 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 49.1 m -65.89 -37.54 86.38 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.918 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.28 88.02 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.382 -0.827 . . . . 0.0 112.718 -177.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 58.3 mtm -58.52 -40.52 83.11 Favored 'General case' 0 CA--C 1.514 -0.434 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.03 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.587 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.9 mt-10 -67.2 -37.23 83.3 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.753 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.675 ' O ' HG23 ' B' ' 14' ' ' VAL . 43.9 m -62.2 -43.73 98.18 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.141 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.23 -44.95 95.4 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.035 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.8 -43.88 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.805 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 86.0 m-20 -60.06 -39.14 84.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.3 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 10' ' ' THR . 76.7 t -65.41 -42.86 94.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -59.96 -49.08 79.06 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 114.952 -1.022 . . . . 0.0 112.142 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.25 -39.83 94.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.5 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.71 98.67 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.696 ' HB2' HD21 ' B' ' 36' ' ' LEU . 94.5 m-70 -100.86 -33.0 10.4 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -177.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.474 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 86.4 p -60.83 -29.43 69.49 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.894 -178.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.36 -27.52 63.28 Favored Glycine 0 CA--C 1.535 1.302 0 CA-C-N 115.49 -0.777 . . . . 0.0 114.497 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' B' ' 22' ' ' GLU . 16.6 ptpt -56.72 -43.51 80.7 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 118.488 1.144 . . . . 0.0 112.422 -176.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.537 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 76.8 mm-40 -135.62 143.29 45.47 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.344 0.593 . . . . 0.0 111.718 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.81 -167.5 54.84 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -72.85 143.5 47.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.83 -38.68 82.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.263 1.03 . . . . 0.0 108.746 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 69.6 m-85 -71.61 -21.1 61.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.08 -1.873 . . . . 0.0 113.034 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.489 ' HZ1' ' CD ' ' B' ' 68' ' ' GLU . 23.1 tptm -112.24 140.6 46.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 110.037 -179.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.621 HD23 ' N ' ' B' ' 29' ' ' SER . 0.5 OUTLIER -96.73 132.58 42.27 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.643 -177.85 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.621 ' N ' HD23 ' B' ' 28' ' ' LEU . 48.9 m -102.69 152.8 20.79 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.464 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 76.6 tttt -56.36 -42.2 77.42 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.176 -178.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -59.78 -49.11 78.99 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.786 0.803 . . . . 0.0 110.723 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.537 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.6 mt-10 -61.72 -37.64 84.94 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.391 -177.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.436 HD21 ' CD1' ' B' ' 61' ' ' LEU . 62.9 tp -63.4 -43.09 98.52 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.912 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.563 ' HZ1' HE22 ' B' ' 38' ' ' GLN . 6.9 tptp -59.96 -42.26 93.71 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.522 177.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.411 ' O ' HG22 ' B' ' 39' ' ' THR . 78.4 mm-40 -69.36 -39.14 78.26 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.401 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.696 HD21 ' HB2' ' B' ' 18' ' ' HIS . 88.8 mt -66.47 -48.79 68.75 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.121 -1.032 . . . . 0.0 112.204 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.83 -42.32 77.36 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.281 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.563 HE22 ' HZ1' ' B' ' 34' ' ' LYS . 51.4 tt0 -63.66 -42.38 98.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 2.0 t -85.17 -46.25 11.27 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.64 -0.824 . . . . 0.0 112.371 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.547 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.9 mt-10 -73.26 -33.92 65.52 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.997 -178.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.547 HD12 ' C ' ' B' ' 40' ' ' GLU . 6.9 mp -121.33 41.36 3.35 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.042 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -54.29 -32.25 55.88 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.115 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.69 -64.86 1.59 Allowed Glycine 0 CA--C 1.534 1.22 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.552 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -57.86 -44.44 86.57 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -177.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.543 HD13 HD23 ' B' ' 41' ' ' LEU . 8.4 mp -94.78 -0.95 53.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.534 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.0 t0 -22.75 100.57 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.735 0.778 . . . . 0.0 111.417 -177.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' B' ' 50' ' ' ASP . . . -64.46 -21.68 66.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.844 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.94 -35.42 64.2 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.529 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.5 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 75.1 mmtt -59.74 -37.91 80.27 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 93.5 m-20 -140.98 101.3 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.365 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.42 -40.82 89.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -84.18 -1.01 54.33 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.5 ' HB2' ' CB ' ' B' ' 50' ' ' ASP . . . -61.19 -29.99 70.14 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.893 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.414 HG21 ' HD3' ' B' ' 34' ' ' LYS . 64.9 t -57.82 -45.47 87.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 119.969 -0.693 . . . . 0.0 110.594 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.464 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 90.0 m-20 -62.59 -41.45 98.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.462 0.649 . . . . 0.0 110.36 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -59.79 -39.45 84.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.854 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.1 t -67.44 -44.26 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.997 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.501 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.0 ppp? -63.76 -38.52 91.41 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.746 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' B' ' 58' ' ' MET . 95.9 mttt -58.94 -38.91 80.09 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 119.397 -0.921 . . . . 0.0 110.652 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.85 -37.08 86.44 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.274 -0.57 . . . . 0.0 109.834 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 96.3 mt -67.04 -37.09 83.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.753 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.623 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 51.5 t0 -76.1 86.04 2.97 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.608 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -66.91 -39.44 87.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.804 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' B' ' 66' ' ' ASP . 43.8 p-10 -89.31 0.43 56.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -176.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.469 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 75.05 11.14 84.14 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.887 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.643 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.3 p30 -62.81 -33.35 75.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.718 0.295 . . . . 0.0 111.733 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.643 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 97.26 -5.05 62.77 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.489 ' CD ' ' HZ1' ' B' ' 27' ' ' LYS . 80.0 tt0 -115.5 148.35 39.58 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.494 ' O ' ' O ' ' B' ' 28' ' ' LEU . 48.4 t -106.03 133.77 49.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.674 0.75 . . . . 0.0 112.805 -177.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.7 t0 -103.42 149.18 25.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.279 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.466 ' O ' HG13 ' B' ' 75' ' ' VAL . 66.0 t80 -52.63 -39.95 62.26 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.372 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.28 -40.58 78.04 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.09 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.488 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 98.3 mt-10 -67.4 -41.23 85.26 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.376 0.607 . . . . 0.0 111.08 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.411 ' HA ' HD22 ' B' ' 61' ' ' LEU . 91.1 t80 -64.69 -42.17 95.51 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -178.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.466 HG13 ' O ' ' B' ' 71' ' ' PHE . 32.3 m -64.2 -37.04 78.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -176.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.414 HG23 ' N ' ' B' ' 77' ' ' LEU . 34.0 m -72.85 -43.11 60.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 118.695 -1.202 . . . . 0.0 111.636 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.414 ' N ' HG23 ' B' ' 76' ' ' VAL . 31.5 tp -68.26 -40.99 81.73 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 p -59.15 -33.21 49.88 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.767 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.438 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -58.66 -37.47 76.05 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.332 -179.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.99 -42.29 76.69 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.168 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.476 ' N ' HD12 ' B' ' 81' ' ' LEU . 7.1 mp -64.99 -38.69 91.79 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.1 t -58.59 -40.3 82.8 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 118.862 -1.135 . . . . 0.0 109.501 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.55 -41.3 89.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.3 -32.97 74.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.972 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 70.9 m -55.58 -34.43 64.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.595 ' OD1' ' NE1' ' B' ' 90' ' ' TRP . 19.1 t-20 -54.85 -37.61 66.42 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.1 0.476 . . . . 0.0 110.502 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -53.28 -38.68 63.3 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.03 -42.71 90.86 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -58.72 -45.7 89.0 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.586 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.595 ' NE1' ' OD1' ' B' ' 86' ' ' ASN . 90.4 m95 -59.24 -34.5 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.21 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.68 -33.36 68.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.466 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -100.21 119.92 39.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.523 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.584 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.8 p -69.73 162.06 28.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.564 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.84 -34.51 76.1 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.452 HD22 ' OE1' ' B' ' 40' ' ' GLU . 48.9 tp -57.22 -40.0 76.62 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.362 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.18 -39.57 90.63 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 119.334 -0.947 . . . . 0.0 109.482 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.8 m -63.84 -42.37 97.61 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.14 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 11' ' ' LEU . . . -63.61 -45.27 91.06 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.457 0.646 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmm -52.14 -50.72 61.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.835 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -70.08 -36.26 74.8 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.18 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.1 m -58.83 -42.75 89.99 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 7' ' ' ALA . 83.1 mt -57.45 -47.67 81.2 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 121.9 0.857 . . . . 0.0 110.428 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.9 mt -64.3 -38.85 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.139 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -59.81 -39.98 86.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.619 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 15' ' ' PHE . 28.5 m -77.46 -47.85 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 C-N-CA 119.598 -0.841 . . . . 0.0 112.596 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.501 ' CD1' HD13 ' A' ' 36' ' ' LEU . 72.7 m-85 -67.48 -43.15 81.65 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 118.961 -1.095 . . . . 0.0 111.724 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -62.42 -44.37 96.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.831 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.5 74.8 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -177.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.757 ' CG ' HD21 ' A' ' 36' ' ' LEU . 6.1 t60 -70.13 -44.39 69.01 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 120.943 0.401 . . . . 0.0 111.692 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 85.1 p -60.79 -29.96 69.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.509 -178.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.97 -33.9 76.21 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.772 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -58.26 -40.19 81.17 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.266 -178.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.535 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.6 mt-10 -137.34 143.96 42.3 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.814 179.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.67 -165.38 52.46 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -72.31 147.93 45.88 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.036 0.446 . . . . 0.0 110.018 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' O ' ' OG ' ' A' ' 19' ' ' SER . 64.9 mttm -58.86 -32.73 69.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.668 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -105.47 13.85 29.53 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -123.7 132.83 53.92 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.538 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' O ' ' O ' ' A' ' 69' ' ' VAL . 56.2 mt -100.67 137.15 39.45 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.351 0.596 . . . . 0.0 109.994 177.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -101.29 157.5 16.74 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.599 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 58.4 tttt -51.46 -41.73 61.09 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 119.016 -1.074 . . . . 0.0 109.2 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -61.86 -50.41 72.36 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.199 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.535 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.3 mt-10 -63.53 -41.48 98.48 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.674 -176.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.57 -42.97 99.88 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.008 -0.997 . . . . 0.0 110.155 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' NZ ' ' NE2' ' A' ' 38' ' ' GLN . 11.8 tptp -61.49 -46.33 90.48 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.898 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.64 -38.06 86.12 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 119.766 -0.774 . . . . 0.0 111.951 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.757 HD21 ' CG ' ' A' ' 18' ' ' HIS . 85.8 mt -66.31 -46.39 77.1 Favored 'General case' 0 CA--C 1.519 -0.243 0 C-N-CA 119.238 -0.985 . . . . 0.0 111.931 178.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.557 HD21 ' OH ' ' A' ' 74' ' ' TYR . 78.0 mt -68.47 -43.13 77.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 119.064 -1.054 . . . . 0.0 110.907 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.485 ' NE2' ' NZ ' ' A' ' 34' ' ' LYS . 51.4 tt0 -64.43 -42.29 96.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.022 -0.99 . . . . 0.0 113.322 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 1.9 t -83.57 -47.03 11.73 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.776 -0.77 . . . . 0.0 112.302 -178.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.642 ' C ' HD12 ' A' ' 41' ' ' LEU . 95.7 mt-10 -73.18 -33.76 65.61 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.173 -0.611 . . . . 0.0 111.492 -178.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.642 HD12 ' C ' ' A' ' 40' ' ' GLU . 9.0 mp -122.11 51.9 1.32 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.476 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -54.83 -31.77 59.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.44 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.8 -67.92 1.41 Allowed Glycine 0 CA--C 1.532 1.095 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.295 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -57.68 -43.42 85.07 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -177.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.61 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -91.63 -3.47 56.33 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' A' ' 45' ' ' LEU . 61.2 t0 -24.66 84.62 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.496 0.665 . . . . 0.0 111.495 -177.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.61 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . -65.74 -21.77 66.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.758 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.24 -35.14 64.63 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.088 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.523 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 48.0 mmtt -58.99 -37.95 78.04 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.523 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 91.9 m-20 -142.14 87.36 2.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.009 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.7 t -60.41 -44.34 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.304 0.573 . . . . 0.0 111.184 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.6 -33.13 71.09 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.869 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.05 -28.41 62.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.847 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.5 t -56.49 -44.72 81.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.15 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.599 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 84.4 m-20 -61.88 -41.54 98.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.485 0.659 . . . . 0.0 110.082 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -61.77 -39.4 91.51 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.361 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.0 t -66.47 -46.77 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.0 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.484 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.1 ppp? -64.94 -35.61 81.71 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.957 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 58' ' ' MET . 80.1 tttt -57.73 -41.11 81.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.014 -0.675 . . . . 0.0 109.949 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.04 -36.75 85.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.009 0.433 . . . . 0.0 110.302 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.692 HD21 HD22 ' A' ' 77' ' ' LEU . 84.4 mt -66.6 -36.29 82.24 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.56 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.544 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 50.7 t0 -75.12 85.44 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.301 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.84 -38.35 88.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.398 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.413 ' ND2' ' HB3' ' A' ' 66' ' ' ASP . 43.9 p-10 -90.02 0.57 57.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 -177.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.449 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 73.16 14.31 79.07 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.86 178.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.8 p30 -62.27 -33.11 74.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.876 0.369 . . . . 0.0 111.777 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.1 -7.46 62.42 Favored Glycine 0 CA--C 1.519 0.317 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 80.5 tt0 -115.35 146.55 41.44 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 178.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.511 ' O ' ' O ' ' A' ' 28' ' ' LEU . 48.1 t -104.32 132.81 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 111.662 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.8 t0 -97.92 145.54 26.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.589 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.515 ' O ' HG13 ' A' ' 75' ' ' VAL . 79.2 t80 -51.14 -39.45 56.31 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.43 ' O ' HG22 ' A' ' 75' ' ' VAL . 63.3 tt0 -58.02 -41.06 82.33 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.526 178.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.476 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.9 mt-10 -67.16 -40.74 86.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.524 0.678 . . . . 0.0 110.128 178.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.557 ' OH ' HD21 ' A' ' 37' ' ' LEU . 93.1 t80 -64.59 -41.37 96.29 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 71' ' ' PHE . 26.1 m -62.68 -37.62 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 119.604 -0.838 . . . . 0.0 111.971 -177.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.03 -44.7 99.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 118.957 -1.097 . . . . 0.0 110.538 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.692 HD22 HD21 ' A' ' 61' ' ' LEU . 26.0 tp -67.54 -41.5 84.21 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.5 p -57.56 -34.42 47.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.282 -177.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HB1' ' C ' ' B' ' 75' ' ' VAL . . . -60.42 -39.32 86.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.072 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.91 -42.12 73.76 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.296 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -64.84 -38.66 91.71 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.539 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -59.58 -40.47 87.48 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 118.883 -1.127 . . . . 0.0 109.545 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.84 -41.64 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.044 0.449 . . . . 0.0 109.93 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.9 -34.79 78.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.605 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 77.6 m -58.17 -35.17 71.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.602 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.504 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 50.6 t30 -55.69 -36.86 67.61 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.588 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.474 ' HA ' ' NE1' ' A' ' 90' ' ' TRP . 20.5 t-20 -54.57 -42.13 70.67 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -63.78 -43.58 95.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.848 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.82 -49.59 77.12 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' A' ' 86' ' ' ASN . 70.6 p-90 -87.6 0.37 55.73 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 119.564 -0.854 . . . . 0.0 112.033 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.0 -33.93 65.31 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.348 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -104.76 137.17 42.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.486 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.551 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.6 p -69.62 162.1 28.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.717 0.294 . . . . 0.0 110.627 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.9 -34.47 76.09 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.682 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.439 HD22 ' OE1' ' A' ' 40' ' ' GLU . 49.0 tp -57.23 -40.07 76.81 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.31 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.1 -39.67 90.85 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.398 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.0 m -63.81 -42.4 97.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.114 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' B' ' 11' ' ' LEU . . . -63.61 -45.17 91.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.438 0.637 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmm -52.16 -50.69 61.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.891 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -70.13 -36.18 74.61 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.246 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.9 m -58.82 -42.71 89.84 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 7' ' ' ALA . 83.3 mt -57.56 -47.63 81.54 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 121.861 0.839 . . . . 0.0 110.393 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.7 mt -64.31 -38.85 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.125 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -59.79 -39.97 86.73 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.634 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.42 HG23 ' N ' ' B' ' 15' ' ' PHE . 28.4 m -77.57 -47.81 25.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 119.594 -0.842 . . . . 0.0 112.557 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.493 ' CD1' HD13 ' B' ' 36' ' ' LEU . 72.7 m-85 -67.47 -43.21 81.56 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 119.07 -1.052 . . . . 0.0 111.661 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -62.44 -44.32 96.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.871 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.4 74.97 Favored 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.738 ' CG ' HD21 ' B' ' 36' ' ' LEU . 6.0 t60 -70.27 -44.19 68.93 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 120.791 0.329 . . . . 0.0 111.782 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 84.8 p -60.75 -29.93 69.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.617 -178.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.94 -33.91 76.12 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.848 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -58.26 -40.12 81.0 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.283 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.521 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.6 mt-10 -137.44 143.86 42.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 110.771 179.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.67 -165.36 52.49 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -72.31 147.93 45.87 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.077 0.465 . . . . 0.0 109.975 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.47 ' O ' ' OG ' ' B' ' 19' ' ' SER . 64.8 mttm -58.95 -32.63 69.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.711 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 75.2 m-85 -105.51 13.9 29.42 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -176.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -123.7 132.84 53.92 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.548 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.516 ' O ' ' O ' ' B' ' 69' ' ' VAL . 56.0 mt -100.67 137.2 39.39 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 121.4 0.619 . . . . 0.0 109.95 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -101.34 157.55 16.71 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.608 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 58.5 tttt -51.52 -41.68 61.2 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 118.934 -1.106 . . . . 0.0 109.273 -178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.79 -50.51 72.05 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.193 -0.603 . . . . 0.0 112.126 177.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.521 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -63.53 -41.48 98.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.614 -175.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.62 -42.9 99.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.204 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.522 ' HZ1' ' NE2' ' B' ' 38' ' ' GLN . 11.8 tptp -61.6 -46.26 90.61 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.833 177.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.71 -38.03 85.9 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.928 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.738 HD21 ' CG ' ' B' ' 18' ' ' HIS . 85.6 mt -66.34 -46.46 76.75 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 119.233 -0.987 . . . . 0.0 111.882 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.553 HD21 ' OH ' ' B' ' 74' ' ' TYR . 77.7 mt -68.44 -43.09 77.84 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 119.079 -1.048 . . . . 0.0 110.884 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.522 ' NE2' ' HZ1' ' B' ' 34' ' ' LYS . 51.4 tt0 -64.48 -42.3 95.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.025 -0.989 . . . . 0.0 113.35 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.494 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 1.9 t -83.51 -47.0 11.8 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.758 -0.777 . . . . 0.0 112.386 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.641 ' C ' HD12 ' B' ' 41' ' ' LEU . 95.7 mt-10 -73.18 -33.79 65.62 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.481 -178.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.641 HD12 ' C ' ' B' ' 40' ' ' GLU . 9.0 mp -122.13 51.94 1.32 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.468 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -54.9 -31.72 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.435 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.78 -67.99 1.4 Allowed Glycine 0 CA--C 1.533 1.156 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.348 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -57.66 -43.3 84.88 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.612 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.6 OUTLIER -91.69 -3.54 56.16 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' B' ' 45' ' ' LEU . 61.3 t0 -24.71 84.63 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.565 0.698 . . . . 0.0 111.541 -177.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.612 ' N ' ' O ' ' B' ' 45' ' ' LEU . . . -65.78 -21.7 66.52 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.838 -1.073 . . . . 0.0 111.784 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -55.21 -35.16 64.58 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.16 -178.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.516 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 48.1 mmtt -58.99 -37.86 77.84 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.516 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.2 m-20 -142.33 87.43 2.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.964 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 39.7 t -60.38 -44.38 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.272 0.558 . . . . 0.0 111.199 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.62 -33.07 71.03 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.837 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.07 -28.36 62.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.862 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.6 t -56.49 -44.74 81.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.162 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.608 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 84.3 m-20 -61.86 -41.58 98.01 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.433 0.635 . . . . 0.0 110.073 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -61.72 -39.46 91.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.321 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.38 -46.91 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.995 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.487 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.1 ppp? -64.84 -35.7 81.96 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.038 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -57.62 -41.11 80.68 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.98 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.18 -36.57 84.62 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.319 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.669 HD21 HD22 ' B' ' 77' ' ' LEU . 84.3 mt -66.69 -36.27 82.11 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.477 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 50.7 t0 -75.1 85.41 2.35 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.326 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.98 -38.23 88.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.368 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.413 ' ND2' ' HB3' ' B' ' 66' ' ' ASP . 44.0 p-10 -90.03 0.52 57.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.444 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 73.26 14.28 79.25 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.89 178.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.8 p30 -62.28 -33.13 74.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.818 0.342 . . . . 0.0 111.704 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.01 -7.37 62.57 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 80.6 tt0 -115.36 146.57 41.44 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.516 ' O ' ' O ' ' B' ' 28' ' ' LEU . 48.0 t -104.23 132.72 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.515 0.674 . . . . 0.0 111.679 -178.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.9 t0 -97.88 145.54 26.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.624 178.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.517 ' O ' HG13 ' B' ' 75' ' ' VAL . 79.3 t80 -51.16 -39.44 56.35 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.414 ' O ' HG22 ' B' ' 75' ' ' VAL . 63.3 tt0 -57.91 -41.09 81.93 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.552 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.495 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 98.9 mt-10 -67.17 -40.72 86.65 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.175 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.553 ' OH ' HD21 ' B' ' 37' ' ' LEU . 93.1 t80 -64.65 -41.33 96.19 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.517 HG13 ' O ' ' B' ' 71' ' ' PHE . 26.4 m -62.82 -37.49 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 119.583 -0.847 . . . . 0.0 111.905 -177.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.8 t -62.11 -44.68 99.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 118.932 -1.107 . . . . 0.0 110.451 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.669 HD22 HD21 ' B' ' 61' ' ' LEU . 26.3 tp -67.58 -41.53 83.99 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.499 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.5 p -57.54 -34.38 46.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.342 -177.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.439 ' HB1' ' C ' ' A' ' 75' ' ' VAL . . . -60.44 -39.33 87.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.056 -179.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.88 -42.18 73.78 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.295 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 0.7 OUTLIER -64.75 -38.76 92.08 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -179.473 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.412 HG22 ' O ' ' B' ' 79' ' ' ALA . 1.8 t -59.55 -40.48 87.4 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 118.806 -1.158 . . . . 0.0 109.574 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.85 -41.64 91.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.039 0.447 . . . . 0.0 109.883 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.76 78.65 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.682 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 76.7 m -58.14 -35.19 71.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.655 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.5 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 50.8 t30 -55.64 -36.9 67.53 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.532 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.475 ' HA ' ' NE1' ' B' ' 90' ' ' TRP . 20.5 t-20 -54.62 -42.17 70.89 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -63.65 -43.61 96.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.894 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -59.82 -49.75 76.48 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.607 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.5 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 70.6 p-90 -87.51 0.33 55.72 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 119.635 -0.826 . . . . 0.0 112.021 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.94 -34.03 65.27 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.355 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -104.66 137.14 42.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.502 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 45.7 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.558 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.503 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 30.6 t -117.98 135.91 53.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.556 0.217 . . . . 0.0 111.283 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -64.88 -36.98 86.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.21 -40.22 93.18 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.702 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.07 -41.18 96.15 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.561 -0.856 . . . . 0.0 108.834 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.1 m -65.94 -37.68 86.66 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.152 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.17 -50.05 69.67 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.918 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.5 mtm -59.04 -41.82 88.77 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 119.205 -0.998 . . . . 0.0 109.894 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.555 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 76.6 mm-40 -67.53 -36.37 80.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.837 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.9 m -61.38 -43.95 97.99 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.37 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.97 -46.65 88.32 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.72 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.718 HG23 ' CE1' ' A' ' 16' ' ' HIS . 91.0 mt -60.36 -46.54 94.9 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.475 179.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.613 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 84.8 m-20 -61.08 -39.33 89.48 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.606 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 10' ' ' THR . 77.4 t -67.24 -48.3 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.878 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.596 ' HD1' HD13 ' A' ' 36' ' ' LEU . 64.8 m-85 -70.01 -50.22 43.59 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.015 -178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.718 ' CE1' HG23 ' A' ' 12' ' ' ILE . 80.1 m80 -60.71 -35.41 76.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.067 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 13' ' ' ASN . . . -60.41 -42.34 95.77 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.796 -178.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.74 ' HB2' HD21 ' A' ' 36' ' ' LEU . 98.9 m-70 -89.57 -28.03 19.84 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.813 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.512 ' OG ' HD21 ' A' ' 28' ' ' LEU . 21.2 m -59.26 -36.5 75.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.947 0.403 . . . . 0.0 110.874 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.82 -31.25 67.51 Favored Glycine 0 CA--C 1.522 0.476 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.581 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -56.66 -38.16 71.81 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.764 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -137.1 142.78 42.32 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.259 0.552 . . . . 0.0 111.725 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.28 -146.91 42.88 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.834 177.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -83.73 133.12 34.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.424 -0.888 . . . . 0.0 111.545 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -55.59 -37.66 68.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.788 0.804 . . . . 0.0 109.884 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.604 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 3.2 m-30 -71.51 -19.26 62.21 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.087 -1.415 . . . . 0.0 112.141 -176.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -112.08 139.04 47.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.512 HD21 ' OG ' ' A' ' 19' ' ' SER . 66.8 mt -105.44 132.32 51.75 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.29 -1.323 . . . . 0.0 107.86 174.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -102.18 166.11 10.77 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 46.6 mtpt -52.19 -39.79 60.62 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 118.608 -1.237 . . . . 0.0 109.238 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -63.37 -51.9 63.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.146 -0.622 . . . . 0.0 112.488 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.02 -40.97 97.5 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.634 0.73 . . . . 0.0 110.949 -175.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.38 -41.95 96.42 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.268 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.597 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 1.5 tptp -60.16 -47.67 84.96 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.541 -1.208 . . . . 0.0 111.998 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.513 ' O ' HG22 ' A' ' 39' ' ' THR . 77.8 mm-40 -69.99 -38.02 75.88 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.083 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.74 HD21 ' HB2' ' A' ' 18' ' ' HIS . 43.7 mt -63.89 -50.64 67.94 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 119.87 -0.732 . . . . 0.0 112.347 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.57 HD23 HD12 ' A' ' 45' ' ' LEU . 10.1 mp -72.67 -44.65 61.56 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 119.449 -0.901 . . . . 0.0 111.919 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.597 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 64.6 tt0 -63.9 -42.37 97.46 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -80.82 -46.56 15.17 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.886 -0.726 . . . . 0.0 112.643 -178.384 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.556 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 73.8 mm-40 -73.41 -36.28 65.98 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 118.733 -1.187 . . . . 0.0 111.305 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.5 mt -125.39 57.18 1.33 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.979 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.9 m -55.54 -34.3 64.59 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.999 -0.281 . . . . 0.0 111.231 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.43 -66.34 1.74 Allowed Glycine 0 CA--C 1.53 0.981 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.546 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -60.04 -43.75 95.12 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -177.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.802 ' O ' ' N ' ' A' ' 47' ' ' ALA . 3.1 mm? -88.04 -7.23 57.33 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -179.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.684 ' O ' ' N ' ' A' ' 48' ' ' GLN . 52.9 t0 -25.25 69.33 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -177.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.837 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . 39.38 13.0 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.714 0.292 . . . . 0.0 111.115 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.684 ' N ' ' O ' ' A' ' 46' ' ' ASP . 91.7 mt-30 59.23 38.05 23.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 -177.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 58.96 30.29 20.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.426 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.837 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 60.0 t0 -145.66 125.77 13.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.79 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.2 -40.24 88.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -87.83 4.03 46.05 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.739 ' HB2' ' HB3' ' A' ' 50' ' ' ASP . . . -60.3 -30.93 69.8 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.577 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.436 HG21 ' HD3' ' A' ' 34' ' ' LYS . 78.4 t -58.86 -45.0 91.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.435 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 90.1 m-20 -62.0 -42.11 98.8 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.306 179.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.13 -39.81 93.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.424 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 53' ' ' ALA . 76.0 t -66.36 -47.64 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.395 -179.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.526 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.8 ppp? -65.83 -35.95 82.11 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.351 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -56.76 -40.82 76.51 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.541 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.67 -36.58 84.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.556 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.649 HD21 HD22 ' A' ' 77' ' ' LEU . 79.5 mt -66.53 -36.96 83.97 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.763 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 52.0 t0 -76.96 88.67 3.51 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.475 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.3 -38.76 88.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.383 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 66' ' ' ASP . 45.1 p-10 -90.8 0.31 57.49 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -177.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.462 ' C ' ' OD2' ' A' ' 62' ' ' ASP . . . 72.53 14.3 77.55 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.808 178.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.64 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.7 p30 -62.47 -33.03 74.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.64 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.3 -7.79 62.2 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -178.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.48 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 84.5 tt0 -112.5 142.51 44.98 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 61' ' ' LEU . 42.8 t -105.22 131.34 54.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.364 0.602 . . . . 0.0 111.083 -178.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 58.1 t0 -96.96 144.8 26.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.459 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.594 ' CE2' ' CG1' ' A' ' 75' ' ' VAL . 77.3 t80 -50.87 -37.78 45.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.416 ' O ' HG22 ' A' ' 75' ' ' VAL . 94.2 mt-30 -58.95 -39.2 80.92 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.614 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.477 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -68.36 -41.38 80.73 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.75 0.786 . . . . 0.0 109.962 178.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.8 -40.91 95.99 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.594 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 27.7 m -62.4 -36.58 75.5 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.881 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.09 -44.67 99.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 C-N-CA 118.929 -1.108 . . . . 0.0 110.476 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.649 HD22 HD21 ' A' ' 61' ' ' LEU . 24.8 tp -67.7 -42.14 82.5 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 75' ' ' VAL . 3.6 p -57.91 -35.19 50.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 119.769 -0.773 . . . . 0.0 110.989 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' B' ' 75' ' ' VAL . . . -60.82 -39.0 87.38 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.346 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.09 -41.08 74.53 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.718 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.434 HD13 HD11 ' A' ' 45' ' ' LEU . 73.4 mt -64.03 -38.32 90.63 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -178.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 0.6 OUTLIER -58.0 -41.2 82.55 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.139 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.87 -41.33 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.67 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.74 -30.75 71.81 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.685 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -54.34 -39.43 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.189 -179.076 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.532 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 49.7 t-20 -58.25 -38.22 76.48 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.357 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -53.5 -38.52 63.77 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.75 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -64.03 -38.29 90.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.813 177.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.46 -46.16 89.57 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.201 0.524 . . . . 0.0 109.713 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -59.45 -34.8 72.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.07 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.31 -33.65 67.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.506 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -55.38 -36.66 66.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.494 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.643 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.66 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.556 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 30.5 t -117.99 135.98 53.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.57 0.224 . . . . 0.0 111.247 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -64.86 -37.08 86.42 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.23 -40.17 93.03 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.679 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.13 -41.24 96.37 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -65.88 -37.64 86.67 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.211 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.19 -49.99 69.86 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.967 -177.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.4 mtm -59.09 -41.78 88.89 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 119.175 -1.01 . . . . 0.0 109.871 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.557 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 76.7 mm-40 -67.59 -36.39 80.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.764 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.622 ' O ' HG23 ' B' ' 14' ' ' VAL . 48.1 m -61.36 -43.9 98.08 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.386 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.05 -46.64 88.24 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.659 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.714 HG23 ' CE1' ' B' ' 16' ' ' HIS . 91.0 mt -60.32 -46.6 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.498 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.613 ' O ' ' HB2' ' B' ' 17' ' ' ALA . 84.7 m-20 -61.02 -39.36 89.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.604 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.622 HG23 ' O ' ' B' ' 10' ' ' THR . 77.2 t -67.28 -48.24 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.897 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.579 ' HD1' HD13 ' B' ' 36' ' ' LEU . 65.2 m-85 -69.97 -50.15 44.57 Favored 'General case' 0 N--CA 1.461 0.091 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.127 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.714 ' CE1' HG23 ' B' ' 12' ' ' ILE . 79.9 m80 -60.8 -35.48 76.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.985 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' B' ' 13' ' ' ASN . . . -60.4 -42.26 95.55 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.877 -178.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.761 ' HB2' HD21 ' B' ' 36' ' ' LEU . 98.9 m-70 -89.58 -28.07 19.8 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.916 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.517 ' OG ' HD21 ' B' ' 28' ' ' LEU . 20.8 m -59.16 -36.53 75.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.379 . . . . 0.0 110.819 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.98 -31.04 67.59 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.599 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -56.71 -38.15 71.93 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.01 -0.676 . . . . 0.0 110.751 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -137.11 142.7 42.3 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.344 0.593 . . . . 0.0 111.768 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.29 -146.91 42.92 Favored Glycine 0 CA--C 1.527 0.797 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.798 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -83.71 133.17 34.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.436 -0.882 . . . . 0.0 111.583 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -55.6 -37.73 68.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.749 0.785 . . . . 0.0 109.821 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 3.2 m-30 -71.5 -19.23 62.22 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.195 -176.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -112.07 139.02 47.93 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.517 HD21 ' OG ' ' B' ' 19' ' ' SER . 66.9 mt -105.41 132.31 51.76 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 114.285 -1.325 . . . . 0.0 107.963 174.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -102.05 165.96 10.88 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.417 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 46.7 mtpt -51.98 -39.95 60.18 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 118.636 -1.226 . . . . 0.0 109.303 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -63.27 -51.96 63.97 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.104 -0.638 . . . . 0.0 112.481 178.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.98 -40.94 97.51 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.991 -175.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.42 -41.87 96.35 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.625 -1.17 . . . . 0.0 109.264 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.594 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 1.4 tptp -60.28 -47.51 85.69 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 114.591 -1.186 . . . . 0.0 112.037 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.501 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -70.03 -38.09 75.79 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.046 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.761 HD21 ' HB2' ' B' ' 18' ' ' HIS . 43.6 mt -63.97 -50.55 68.13 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.325 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.568 HD23 HD12 ' B' ' 45' ' ' LEU . 10.0 mp -72.7 -44.67 61.46 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.917 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.594 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 64.6 tt0 -63.83 -42.39 97.63 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.501 HG22 ' O ' ' B' ' 35' ' ' GLU . 0.7 OUTLIER -80.82 -46.62 15.07 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.891 -0.724 . . . . 0.0 112.58 -178.361 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.503 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 73.9 mm-40 -73.4 -36.28 66.0 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 118.762 -1.175 . . . . 0.0 111.295 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 76.8 mt -125.43 57.32 1.33 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.942 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 20.9 m -55.64 -34.2 64.72 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.206 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.54 -66.28 1.74 Allowed Glycine 0 CA--C 1.53 1.006 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.536 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -60.16 -43.58 95.66 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.81 ' O ' ' N ' ' B' ' 47' ' ' ALA . 3.1 mm? -88.18 -7.28 57.12 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.682 ' O ' ' N ' ' B' ' 48' ' ' GLN . 52.8 t0 -25.17 69.37 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -177.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.819 ' HB1' ' O ' ' B' ' 50' ' ' ASP . . . 39.31 12.98 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.713 0.292 . . . . 0.0 111.247 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.682 ' N ' ' O ' ' B' ' 46' ' ' ASP . 91.7 mt-30 59.26 38.02 23.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -177.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp 58.97 30.36 20.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.661 -1.154 . . . . 0.0 109.38 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.819 ' O ' ' HB1' ' B' ' 47' ' ' ALA . 60.1 t0 -145.8 125.76 13.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.753 178.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 74.9 t -65.12 -40.25 88.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -87.82 4.02 46.04 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.741 ' HB2' ' HB3' ' B' ' 50' ' ' ASP . . . -60.42 -30.78 69.84 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.56 -179.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.437 HG21 ' HD3' ' B' ' 34' ' ' LYS . 78.9 t -58.87 -45.03 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.417 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 90.1 m-20 -61.89 -42.28 98.89 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.266 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -62.04 -39.8 93.57 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.463 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 53' ' ' ALA . 76.5 t -66.48 -47.55 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.397 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.528 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.8 ppp? -65.88 -35.85 81.77 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.336 -0.546 . . . . 0.0 111.432 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -56.9 -40.7 76.75 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.577 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.62 -36.62 84.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.599 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.667 HD21 HD22 ' B' ' 77' ' ' LEU . 79.6 mt -66.6 -36.88 83.68 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.76 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.478 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 52.0 t0 -76.95 88.58 3.51 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.502 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.27 -38.69 88.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.392 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' B' ' 66' ' ' ASP . 44.8 p-10 -90.9 0.48 57.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -177.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.454 ' C ' ' OD2' ' B' ' 62' ' ' ASP . . . 72.36 14.44 77.06 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.913 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.648 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.7 p30 -62.51 -33.11 74.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.648 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.35 -7.84 62.13 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -178.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.477 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 84.5 tt0 -112.5 142.38 45.13 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.426 HG13 ' HB3' ' B' ' 61' ' ' LEU . 42.9 t -105.18 131.41 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.463 0.649 . . . . 0.0 111.058 -178.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 58.1 t0 -96.93 144.83 26.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.477 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.594 ' CE2' ' CG1' ' B' ' 75' ' ' VAL . 77.3 t80 -50.9 -37.88 46.45 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.414 ' O ' HG22 ' B' ' 75' ' ' VAL . 94.3 mt-30 -58.94 -39.17 80.8 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.588 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.489 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 98.7 mt-10 -68.4 -41.34 80.62 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.712 0.768 . . . . 0.0 109.975 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.82 -40.85 95.87 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.594 ' CG1' ' CE2' ' B' ' 71' ' ' PHE . 27.5 m -62.4 -36.5 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 119.882 -0.727 . . . . 0.0 111.897 -177.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.2 -44.68 99.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 C-N-CA 119.008 -1.077 . . . . 0.0 110.396 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.667 HD22 HD21 ' B' ' 61' ' ' LEU . 24.9 tp -67.71 -42.16 82.43 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 75' ' ' VAL . 3.6 p -57.88 -35.21 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 119.671 -0.811 . . . . 0.0 111.015 -177.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 75' ' ' VAL . . . -60.79 -39.08 87.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.3 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.12 -40.98 74.56 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.349 -0.541 . . . . 0.0 110.701 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.439 HD13 HD11 ' B' ' 45' ' ' LEU . 73.7 mt -64.1 -38.28 90.48 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -178.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.561 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 0.6 OUTLIER -58.04 -41.23 82.78 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.141 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.78 -41.4 90.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.691 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.8 -30.79 71.85 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.638 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' B' ' 82' ' ' THR . 0.8 OUTLIER -54.26 -39.35 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.309 -179.194 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.523 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 49.6 t-20 -58.4 -38.13 76.74 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.392 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -53.45 -38.47 63.59 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 120.174 -0.611 . . . . 0.0 109.889 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -64.03 -38.23 90.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.87 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.57 -46.13 89.83 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.179 0.514 . . . . 0.0 109.69 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -59.4 -34.71 72.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.161 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.44 -33.6 68.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.515 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -55.33 -36.64 66.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.582 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.535 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.493 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 95.4 p -123.04 154.73 38.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.762 0.315 . . . . 0.0 110.515 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.78 -37.14 85.51 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.91 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' B' ' 40' ' ' GLU . 36.9 tp -60.42 -39.97 89.32 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.55 -41.2 94.07 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 119.533 -0.867 . . . . 0.0 109.619 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.8 m -66.03 -39.28 90.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.557 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -47.66 77.45 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.1 mtm -57.2 -42.31 81.02 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 118.647 -1.221 . . . . 0.0 108.947 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -65.95 -37.75 86.82 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 113.744 -1.571 . . . . 0.0 109.479 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.5 m -61.56 -42.17 98.44 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.422 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.89 -44.12 86.51 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.617 0.723 . . . . 0.0 109.709 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.2 mt -67.0 -38.0 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.452 178.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -60.19 -41.14 92.31 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.584 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.1 m -76.02 -38.56 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.513 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.553 ' CE2' ' CG ' ' A' ' 71' ' ' PHE . 2.5 t80 -62.6 -47.97 81.45 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.865 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -61.85 -45.07 95.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.361 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.45 -52.01 44.64 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.236 -0.586 . . . . 0.0 112.507 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.574 ' CB ' HD21 ' A' ' 36' ' ' LEU . 87.0 m-70 -64.3 -46.12 84.99 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 89.9 p -61.8 -30.89 71.11 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.059 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.48 -33.97 83.65 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.261 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -58.38 -39.18 78.91 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.665 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.515 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -131.49 149.8 52.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.959 0.409 . . . . 0.0 111.397 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.74 -159.96 6.97 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.82 146.48 49.68 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.08 0.467 . . . . 0.0 110.354 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' O ' ' OG ' ' A' ' 19' ' ' SER . 62.5 mttt -58.72 -33.23 69.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.131 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.485 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 1.4 m-85 -102.59 11.41 37.83 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -175.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -130.85 135.39 47.67 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.782 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.7 mt -101.21 138.0 38.81 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 121.385 0.612 . . . . 0.0 110.865 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.4 m -102.97 161.5 13.7 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -52.57 -40.41 62.57 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.885 -1.126 . . . . 0.0 109.149 -178.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -61.24 -50.04 74.67 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.158 -0.617 . . . . 0.0 111.987 177.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.515 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.6 mt-10 -63.17 -40.43 97.51 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.304 -176.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.413 ' CD1' HG11 ' A' ' 69' ' ' VAL . 8.6 tt -62.59 -41.23 98.84 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.631 -1.168 . . . . 0.0 109.165 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.488 ' HD3' HG21 ' A' ' 54' ' ' VAL . 15.4 tptm -60.79 -46.13 91.7 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.599 177.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' O ' HG22 ' A' ' 39' ' ' THR . 77.8 mm-40 -66.26 -37.3 85.16 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 119.918 -0.713 . . . . 0.0 111.439 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.574 HD21 ' CB ' ' A' ' 18' ' ' HIS . 92.1 mt -65.78 -47.0 76.63 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 119.341 -0.944 . . . . 0.0 112.342 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.488 HD21 ' OH ' ' A' ' 74' ' ' TYR . 64.8 mt -68.23 -42.43 79.75 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.145 -1.022 . . . . 0.0 110.598 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.41 -41.86 98.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.953 -1.021 . . . . 0.0 112.938 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 2.7 t -85.04 -45.74 11.83 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.452 -178.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.532 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 78.4 mm-40 -72.18 -35.2 68.91 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.447 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.1 mt -121.86 41.62 3.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.378 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -53.81 -33.41 55.99 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.188 -179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.79 -63.7 1.73 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.486 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -58.59 -44.75 89.95 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -89.7 -3.12 58.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.22 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.531 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.2 t0 -25.63 115.4 0.05 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.759 0.79 . . . . 0.0 110.897 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.549 ' O ' ' O ' ' A' ' 50' ' ' ASP . . . -62.88 -27.88 69.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.36 -1.291 . . . . 0.0 113.377 -177.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -56.77 -39.75 74.6 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.587 -177.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.446 ' NZ ' ' CE1' ' A' ' 88' ' ' PHE . 45.6 mtpt -63.53 -38.47 91.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.753 ' HB3' ' HB2' ' A' ' 53' ' ' ALA . 87.2 m-20 -106.41 152.65 23.33 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.29 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.0 t -108.88 126.83 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 46.24 34.37 2.16 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.055 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.753 ' HB2' ' HB3' ' A' ' 50' ' ' ASP . . . -63.3 -33.5 75.66 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.046 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.488 HG21 ' HD3' ' A' ' 34' ' ' LYS . 71.4 t -58.49 -44.92 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.322 -178.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 90.2 m-20 -62.4 -42.32 99.34 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.424 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -60.32 -40.0 89.04 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.254 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.2 -44.61 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.509 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.4 ppp? -67.41 -39.9 85.55 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 72.9 mmtt -59.7 -38.32 81.28 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 119.336 -0.946 . . . . 0.0 111.716 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.47 -39.26 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.674 -0.811 . . . . 0.0 110.472 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.509 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 81.3 mt -68.41 -35.93 78.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.159 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.451 ' HA ' HD21 ' A' ' 64' ' ' ASN . 97.9 m-20 -91.34 33.17 0.99 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -178.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -53.14 -33.07 50.8 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.561 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.882 HD22 ' H ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -55.79 -30.38 61.24 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.875 -179.351 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.882 ' H ' HD22 ' A' ' 64' ' ' ASN . . . 93.27 6.52 62.88 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.684 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.1 p30 -61.21 -35.08 76.21 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.684 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.76 -10.26 70.6 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -121.67 154.86 36.28 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.413 HG11 ' CD1' ' A' ' 33' ' ' LEU . 47.8 t -101.24 129.7 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 119.404 -0.919 . . . . 0.0 111.623 -178.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -88.94 131.58 35.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.229 -1.35 . . . . 0.0 110.05 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.553 ' CG ' ' CE2' ' A' ' 15' ' ' PHE . 78.2 t80 -51.29 -38.7 54.25 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.375 -179.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.482 ' HG2' HG11 ' B' ' 83' ' ' VAL . 26.3 mt-30 -58.17 -39.8 79.8 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.684 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 98.9 mt-10 -68.51 -38.62 81.09 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.178 0.513 . . . . 0.0 110.848 178.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.488 ' OH ' HD21 ' A' ' 37' ' ' LEU . 90.2 t80 -63.33 -42.45 98.98 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.555 HG21 HG21 ' B' ' 83' ' ' VAL . 32.8 m -65.51 -32.54 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.917 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.8 t -63.1 -47.15 93.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 119.276 -0.97 . . . . 0.0 110.551 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 77' ' ' LEU . 2.6 mm? -73.11 -39.57 65.68 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -56.42 -36.68 47.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.18 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.403 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -60.58 -39.49 88.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.105 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.42 -40.62 81.15 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.913 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.82 -40.75 97.37 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.294 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 79' ' ' ALA . 1.2 t -61.21 -45.07 96.08 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 118.665 -1.214 . . . . 0.0 109.382 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.573 HG21 HG21 ' B' ' 75' ' ' VAL . 96.4 t -66.09 -39.59 84.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.318 178.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.58 74.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.742 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 75.2 m -55.69 -36.98 67.75 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.31 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.468 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 24.7 m120 -57.17 -34.73 68.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.01 -39.25 68.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.186 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.446 ' CE1' ' NZ ' ' A' ' 49' ' ' LYS . 67.3 t80 -59.29 -45.93 89.93 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.979 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.482 ' O ' ' OD1' ' A' ' 92' ' ' ASN . 96.1 m-85 -63.17 -37.4 87.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.654 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.468 ' CD1' ' O ' ' A' ' 86' ' ' ASN . 39.2 m0 -56.09 -33.73 65.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.689 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -56.56 -32.84 65.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.68 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.613 ' OD1' ' N ' ' A' ' 93' ' ' SER . 35.3 p-10 -56.28 -30.98 63.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.811 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.613 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 7.2 m . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.602 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.532 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 95.2 p -123.09 154.74 38.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.749 0.309 . . . . 0.0 110.578 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.84 -37.03 85.18 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.896 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 40' ' ' GLU . 37.1 tp -60.42 -40.01 89.48 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.63 -41.17 94.35 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 119.546 -0.862 . . . . 0.0 109.544 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 48.9 m -65.99 -39.3 90.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.557 178.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' B' ' 11' ' ' LEU . . . -64.67 -47.71 77.44 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.0 mtm -57.17 -42.33 80.91 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 118.625 -1.23 . . . . 0.0 108.984 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -65.98 -37.7 86.65 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 113.638 -1.619 . . . . 0.0 109.48 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.0 m -61.5 -42.2 98.44 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.419 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 7' ' ' ALA . 89.0 mt -57.96 -44.01 86.77 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.675 0.75 . . . . 0.0 109.714 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.4 mt -67.05 -38.0 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.41 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -60.21 -41.19 92.52 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.565 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.2 m -75.92 -38.59 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 C-N-CA 119.924 -0.711 . . . . 0.0 110.557 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.558 ' CE2' ' CG ' ' B' ' 71' ' ' PHE . 2.6 t80 -62.56 -48.03 81.26 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.887 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -61.78 -45.08 95.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.399 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.42 -52.08 44.02 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.241 -0.584 . . . . 0.0 112.431 -178.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.568 ' CB ' HD21 ' B' ' 36' ' ' LEU . 87.1 m-70 -64.24 -46.19 84.89 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 89.6 p -61.83 -30.9 71.14 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.024 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.43 -34.12 84.02 Favored Glycine 0 CA--C 1.526 0.727 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.27 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -58.2 -39.26 78.52 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.706 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.508 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.8 mm-40 -131.49 149.8 52.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.957 0.408 . . . . 0.0 111.367 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.7 -159.95 6.91 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.79 146.55 49.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.07 0.462 . . . . 0.0 110.355 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -58.77 -33.33 70.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.093 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.429 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 1.4 m-85 -102.49 11.37 38.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -175.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -130.91 135.41 47.65 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.693 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.7 mt -101.21 137.94 38.9 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.389 0.614 . . . . 0.0 110.894 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 54.7 m -102.91 161.54 13.67 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -52.55 -40.44 62.55 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.187 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -61.31 -49.99 74.76 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.982 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.508 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.6 mt-10 -63.14 -40.51 97.79 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.249 -176.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.421 ' CD1' HG11 ' B' ' 69' ' ' VAL . 8.6 tt -62.51 -41.17 98.65 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.259 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.475 ' HD3' HG21 ' B' ' 54' ' ' VAL . 15.4 tptm -60.81 -46.11 91.82 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.628 177.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.407 ' O ' HG22 ' B' ' 39' ' ' THR . 77.8 mm-40 -66.32 -37.21 84.86 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 119.826 -0.75 . . . . 0.0 111.472 179.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.568 HD21 ' CB ' ' B' ' 18' ' ' HIS . 91.9 mt -65.96 -46.75 76.97 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 119.201 -1.0 . . . . 0.0 112.381 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.482 HD21 ' OH ' ' B' ' 74' ' ' TYR . 64.4 mt -68.26 -42.45 79.58 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 119.107 -1.037 . . . . 0.0 110.605 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.37 -41.94 98.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.892 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.476 HG23 ' N ' ' B' ' 40' ' ' GLU . 2.7 t -84.93 -45.81 11.86 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.141 -0.624 . . . . 0.0 112.465 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.514 ' HB3' HD23 ' A' ' 4' ' ' LEU . 78.3 mm-40 -72.22 -35.1 68.78 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.296 -0.562 . . . . 0.0 111.454 -178.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 76.4 mt -121.8 41.53 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.403 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -53.94 -33.31 56.42 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.193 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.82 -63.73 1.73 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.46 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -58.5 -44.74 89.56 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -89.84 -3.06 58.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.098 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.533 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.2 t0 -25.63 115.45 0.05 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.723 0.773 . . . . 0.0 110.855 -177.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.565 ' O ' ' O ' ' B' ' 50' ' ' ASP . . . -62.92 -27.88 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.365 -1.288 . . . . 0.0 113.44 -177.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -56.76 -39.76 74.61 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.374 -0.93 . . . . 0.0 111.592 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.403 ' NZ ' ' CE1' ' B' ' 88' ' ' PHE . 45.6 mtpt -63.6 -38.28 90.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.755 ' HB3' ' HB2' ' B' ' 53' ' ' ALA . 87.3 m-20 -106.65 152.68 23.44 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.268 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.9 t -108.78 126.78 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 46.18 34.44 2.14 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.071 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.755 ' HB2' ' HB3' ' B' ' 50' ' ' ASP . . . -63.28 -33.49 75.62 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.143 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.475 HG21 ' HD3' ' B' ' 34' ' ' LYS . 71.7 t -58.49 -44.91 90.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.362 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.31 -42.39 99.32 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.441 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -60.34 -39.94 88.92 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.895 -0.722 . . . . 0.0 110.227 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.6 t -67.27 -44.61 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.515 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.4 ppp? -67.43 -39.85 85.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -59.73 -38.26 81.23 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.282 -0.967 . . . . 0.0 111.748 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.49 -39.31 93.56 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.403 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.508 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 81.3 mt -68.27 -35.98 78.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.157 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.453 ' HA ' HD21 ' B' ' 64' ' ' ASN . 97.9 m-20 -91.46 33.31 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -53.21 -33.01 50.98 Favored 'General case' 0 CA--C 1.503 -0.838 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.574 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.895 HD22 ' H ' ' B' ' 65' ' ' GLY . 0.0 OUTLIER -55.83 -30.34 61.27 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.884 -179.4 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.895 ' H ' HD22 ' B' ' 64' ' ' ASN . . . 93.28 6.46 62.9 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.676 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.1 p30 -61.09 -35.06 75.97 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.676 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.7 -10.38 70.68 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -121.63 155.0 36.04 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.421 HG11 ' CD1' ' B' ' 33' ' ' LEU . 48.0 t -101.38 129.74 52.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 119.351 -0.94 . . . . 0.0 111.55 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -88.9 131.59 35.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.207 -1.36 . . . . 0.0 110.087 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.558 ' CG ' ' CE2' ' B' ' 15' ' ' PHE . 78.2 t80 -51.23 -38.77 54.38 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.384 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.473 ' HG2' HG11 ' A' ' 83' ' ' VAL . 26.3 mt-30 -58.18 -39.77 79.78 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.691 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.508 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 99.0 mt-10 -68.49 -38.64 81.18 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.174 0.511 . . . . 0.0 110.803 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.482 ' OH ' HD21 ' B' ' 37' ' ' LEU . 90.3 t80 -63.3 -42.49 99.04 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.573 HG21 HG21 ' A' ' 83' ' ' VAL . 32.8 m -65.5 -32.57 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.915 -178.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.01 -47.23 93.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 119.382 -0.927 . . . . 0.0 110.538 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.617 ' N ' HD22 ' B' ' 77' ' ' LEU . 2.5 mm? -73.14 -39.51 65.65 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -56.45 -36.66 48.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 C-N-CA 119.164 -1.014 . . . . 0.0 111.152 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.411 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -60.68 -39.34 88.07 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.137 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.71 81.28 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.936 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.9 mt -63.66 -40.87 97.92 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.411 ' CG2' ' O ' ' B' ' 79' ' ' ALA . 1.2 t -61.22 -45.05 96.17 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 118.607 -1.237 . . . . 0.0 109.33 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.555 HG21 HG21 ' A' ' 75' ' ' VAL . 96.5 t -66.07 -39.54 84.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.302 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.83 -33.49 74.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.786 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 75.4 m -55.76 -36.87 67.79 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.36 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.463 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 24.7 m120 -57.31 -34.64 68.93 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -55.02 -39.19 68.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.212 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.403 ' CE1' ' NZ ' ' B' ' 49' ' ' LYS . 67.3 t80 -59.3 -46.01 89.71 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.952 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.486 ' O ' ' OD1' ' B' ' 92' ' ' ASN . 96.1 m-85 -63.14 -37.4 87.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.614 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.463 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 39.2 m0 -56.11 -33.62 65.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.802 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -56.58 -32.9 65.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.649 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.612 ' OD1' ' N ' ' B' ' 93' ' ' SER . 35.3 p-10 -56.22 -30.94 63.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.897 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.612 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 7.1 m . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.612 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -119.75 149.03 42.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.952 0.406 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.42 -34.33 75.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.763 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.459 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 41.2 tp -57.85 -41.15 81.8 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.68 -40.85 93.68 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.48 -0.888 . . . . 0.0 108.978 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.8 m -65.51 -37.62 87.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.115 177.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.13 73.85 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.85 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.1 mtm -59.17 -40.92 87.17 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 118.711 -1.196 . . . . 0.0 109.777 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.581 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 97.9 mt-10 -67.15 -37.41 83.74 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.826 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 14' ' ' VAL . 46.7 m -62.2 -43.67 98.31 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.72 -44.57 96.66 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.785 HD13 HD21 ' B' ' 86' ' ' ASN . 78.6 mt -65.66 -43.61 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.073 179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.581 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 85.4 m-20 -60.39 -40.14 89.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 10' ' ' THR . 71.1 t -66.54 -42.84 90.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 121.508 0.67 . . . . 0.0 109.684 178.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.452 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 4.6 t80 -62.07 -51.81 66.46 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.592 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.51 -38.2 89.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.654 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.3 95.89 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.43 ' ND1' HD21 ' A' ' 36' ' ' LEU . 63.9 m170 -99.5 -28.29 13.31 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.491 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 23.3 t -58.47 -37.82 76.27 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.274 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.73 -28.45 65.58 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-N 115.879 -0.6 . . . . 0.0 113.154 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -56.7 -40.26 75.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.434 0.617 . . . . 0.0 112.161 -177.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.526 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.7 mm-40 -140.53 138.91 34.9 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.077 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.0 -163.81 53.83 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -72.74 144.33 47.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.75 0.309 . . . . 0.0 110.369 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' OG ' ' A' ' 19' ' ' SER . 86.5 mttt -59.42 -38.4 80.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 122.363 1.078 . . . . 0.0 108.782 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.505 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 69.5 m-85 -69.53 -25.37 63.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 112.965 -1.925 . . . . 0.0 113.208 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CB ' ' OE2' ' A' ' 68' ' ' GLU . 16.0 mmtm -114.04 141.98 46.76 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 28' ' ' LEU . 86.1 mt -100.47 139.72 35.76 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.903 175.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.7 t -100.54 156.16 17.44 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -50.77 -38.92 50.8 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.195 -1.002 . . . . 0.0 108.835 -178.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -61.66 -51.58 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.108 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.526 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 95.9 mt-10 -65.01 -40.95 95.63 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.452 -176.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.424 ' O ' HD13 ' A' ' 37' ' ' LEU . 8.2 tt -64.19 -42.87 96.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.498 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.595 ' HD3' HG21 ' A' ' 54' ' ' VAL . 9.6 tptp -60.87 -46.69 89.6 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.198 178.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.497 ' O ' HG22 ' A' ' 39' ' ' THR . 77.9 mm-40 -67.84 -37.54 82.02 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.556 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.43 HD21 ' ND1' ' A' ' 18' ' ' HIS . 19.0 mt -64.79 -47.99 76.07 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 119.417 -0.913 . . . . 0.0 112.067 178.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.508 ' CB ' HD23 ' A' ' 45' ' ' LEU . 7.0 mp -71.69 -47.41 54.28 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.407 -0.917 . . . . 0.0 111.852 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -63.2 -41.98 99.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.656 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -81.44 -45.5 15.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.876 -0.73 . . . . 0.0 112.749 -178.684 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.794 ' C ' HD22 ' A' ' 41' ' ' LEU . 95.6 mt-10 -71.87 -35.51 69.8 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 119.18 -1.008 . . . . 0.0 111.785 -178.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.794 HD22 ' C ' ' A' ' 40' ' ' GLU . 4.3 mm? -125.23 61.48 1.2 Allowed 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.825 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 m -55.02 -32.74 62.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.239 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.71 -69.87 1.36 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.489 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -57.77 -41.74 82.61 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.754 HD22 ' HB2' ' A' ' 41' ' ' LEU . 3.6 mp -92.06 -3.08 56.23 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.7 t0 -26.3 97.48 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.278 0.561 . . . . 0.0 111.616 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' ASP . . . -65.28 -21.77 66.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.974 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -50.98 -36.63 40.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.362 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.5 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 73.8 mmtt -58.03 -37.41 74.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.578 ' CB ' ' HB2' ' A' ' 53' ' ' ALA . 89.9 m-20 -140.55 98.57 3.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.943 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.1 t -62.37 -40.9 89.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.439 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 49.0 p30 -89.14 5.36 44.98 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.578 ' HB2' ' CB ' ' A' ' 50' ' ' ASP . . . -63.15 -32.26 73.61 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.595 HG21 ' HD3' ' A' ' 34' ' ' LYS . 75.7 t -59.9 -45.05 95.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.436 -178.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -62.09 -42.21 98.98 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.606 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -62.3 -39.93 94.61 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.033 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 53' ' ' ALA . 70.8 t -66.39 -45.9 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.103 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.431 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 2.6 ppp? -66.95 -36.25 81.8 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.343 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' N ' ' HG3' ' A' ' 58' ' ' MET . 81.6 tttt -58.61 -41.49 85.99 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.393 -178.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.15 -39.04 92.45 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.029 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.012 HD11 HD22 ' A' ' 77' ' ' LEU . 46.6 mt -68.12 -35.74 78.62 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 120.971 0.415 . . . . 0.0 110.819 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -91.43 32.17 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.976 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.99 -29.87 44.84 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.409 176.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.516 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 13.1 m120 -51.75 -32.95 32.78 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.48 -1.236 . . . . 0.0 109.404 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.07 1.81 61.12 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.7 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.0 p30 -61.64 -35.98 79.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.765 -0.718 . . . . 0.0 111.531 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.7 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 90.01 -6.65 82.63 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.465 ' OE2' ' CB ' ' A' ' 27' ' ' LYS . 79.8 tt0 -122.77 148.32 45.49 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.75 128.67 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 119.804 -0.758 . . . . 0.0 110.665 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -87.36 134.22 33.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.475 -1.238 . . . . 0.0 110.666 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.452 ' CD1' ' CE2' ' A' ' 15' ' ' PHE . 88.6 t80 -50.45 -39.17 46.97 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.914 -0.714 . . . . 0.0 110.296 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.502 ' O ' HG12 ' A' ' 75' ' ' VAL . 63.3 tt0 -55.98 -41.0 74.11 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.519 -0.873 . . . . 0.0 109.543 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.516 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 99.4 mt-10 -68.11 -39.74 82.71 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.093 0.473 . . . . 0.0 110.8 178.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.493 ' CE2' HG11 ' A' ' 78' ' ' VAL . 85.8 t80 -65.27 -43.37 91.48 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.564 HG22 ' HB1' ' B' ' 79' ' ' ALA . 5.5 p -56.68 -36.41 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.749 -178.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.44 HG13 HG13 ' B' ' 76' ' ' VAL . 70.3 t -66.71 -41.39 87.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.056 178.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.012 HD22 HD11 ' A' ' 61' ' ' LEU . 35.9 tp -61.3 -42.48 98.72 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.355 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 82' ' ' THR . 23.0 m -71.55 -33.68 50.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 119.203 -0.999 . . . . 0.0 110.544 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.915 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -60.98 -45.85 93.13 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.684 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.52 76.48 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.591 HD21 HD11 ' A' ' 45' ' ' LEU . 26.1 tp -60.7 -38.63 85.65 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.67 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 78' ' ' VAL . 11.6 p -58.17 -40.19 80.83 Favored 'General case' 0 CA--C 1.501 -0.927 0 C-N-CA 119.547 -0.861 . . . . 0.0 109.018 -178.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.1 t -63.84 -41.08 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.293 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.129 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.48 -34.16 77.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.58 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -34.36 73.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.961 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.766 HD21 HD13 ' B' ' 12' ' ' ILE . 24.5 m120 -56.08 -34.12 65.67 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.492 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.48 ' HA ' ' NE1' ' A' ' 90' ' ' TRP . 20.5 t-20 -53.98 -41.85 68.35 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -63.69 -43.74 95.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.825 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -60.04 -49.65 76.84 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.492 ' CD1' ' O ' ' A' ' 86' ' ' ASN . 70.2 p-90 -87.57 1.05 54.68 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.979 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.3 -33.51 63.34 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.283 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -54.84 -37.26 65.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.569 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.683 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -119.86 149.05 42.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.91 0.386 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.36 -34.43 75.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.775 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.455 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 41.2 tp -57.81 -41.07 81.44 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.71 -40.84 93.77 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.008 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 49.8 m -65.61 -37.46 86.67 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.122 177.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.08 -49.05 73.8 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.836 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 56.2 mtm -59.17 -40.96 87.26 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 118.711 -1.196 . . . . 0.0 109.759 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.583 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 97.8 mt-10 -67.14 -37.37 83.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.837 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.475 ' O ' HG23 ' B' ' 14' ' ' VAL . 47.3 m -62.22 -43.68 98.28 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.76 -44.53 96.71 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.766 HD13 HD21 ' A' ' 86' ' ' ASN . 78.6 mt -65.65 -43.62 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.026 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.583 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 85.5 m-20 -60.43 -40.14 89.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 10' ' ' THR . 70.7 t -66.56 -42.84 90.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.472 0.654 . . . . 0.0 109.672 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.446 ' CE2' ' CD1' ' B' ' 71' ' ' PHE . 4.6 t80 -62.11 -51.78 66.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.606 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.45 -38.2 88.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.701 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.26 95.96 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -176.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.425 ' ND1' HD21 ' B' ' 36' ' ' LEU . 63.7 m170 -99.49 -28.37 13.28 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.491 ' OG ' ' O ' ' B' ' 25' ' ' LYS . 23.3 t -58.46 -37.8 76.21 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.256 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.75 -28.44 65.61 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-N 115.893 -0.594 . . . . 0.0 113.122 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -56.69 -40.27 75.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 117.454 0.627 . . . . 0.0 112.119 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.538 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.7 mm-40 -140.54 138.92 34.89 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.226 -0.589 . . . . 0.0 111.06 178.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.01 -163.77 53.85 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.83 144.31 47.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.766 0.317 . . . . 0.0 110.355 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.491 ' O ' ' OG ' ' B' ' 19' ' ' SER . 86.4 mttt -59.36 -38.37 80.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 122.421 1.105 . . . . 0.0 108.822 179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.512 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 69.3 m-85 -69.57 -25.47 64.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 112.927 -1.942 . . . . 0.0 113.108 -177.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.467 ' CB ' ' OE2' ' B' ' 68' ' ' GLU . 16.1 mmtm -114.02 141.98 46.75 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' B' ' 28' ' ' LEU . 86.4 mt -100.44 139.75 35.67 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.946 175.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.7 t -100.58 156.18 17.45 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -50.85 -38.89 51.91 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.145 -1.022 . . . . 0.0 108.812 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -61.65 -51.59 67.85 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 119.915 -0.714 . . . . 0.0 112.139 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.538 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 95.9 mt-10 -64.95 -41.05 95.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.411 -176.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.429 ' O ' HD13 ' B' ' 37' ' ' LEU . 8.2 tt -64.18 -42.82 96.52 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.553 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.594 ' HD3' HG21 ' B' ' 54' ' ' VAL . 9.6 tptp -60.9 -46.67 89.7 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 114.552 -1.204 . . . . 0.0 112.209 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.498 ' O ' HG22 ' B' ' 39' ' ' THR . 77.9 mm-40 -67.83 -37.51 82.0 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.613 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.425 HD21 ' ND1' ' B' ' 18' ' ' HIS . 19.0 mt -64.86 -47.94 76.1 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 119.402 -0.919 . . . . 0.0 112.08 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.519 ' CB ' HD23 ' B' ' 45' ' ' LEU . 7.0 mp -71.7 -47.38 54.46 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.369 -0.932 . . . . 0.0 111.888 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -63.18 -42.08 99.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.637 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.498 HG22 ' O ' ' B' ' 35' ' ' GLU . 0.7 OUTLIER -81.25 -45.64 15.98 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.906 -0.718 . . . . 0.0 112.774 -178.674 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.803 ' C ' HD22 ' B' ' 41' ' ' LEU . 95.7 mt-10 -71.88 -35.5 69.78 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 119.138 -1.025 . . . . 0.0 111.747 -178.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.803 HD22 ' C ' ' B' ' 40' ' ' GLU . 4.3 mm? -125.24 61.51 1.2 Allowed 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.878 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.9 m -55.01 -32.71 62.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.25 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.76 -69.87 1.36 Allowed Glycine 0 CA--C 1.531 1.088 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.415 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -57.86 -41.6 82.77 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.745 HD22 ' HB2' ' B' ' 41' ' ' LEU . 3.6 mp -92.19 -3.06 56.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' B' ' 45' ' ' LEU . 60.7 t0 -26.24 97.46 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.351 0.596 . . . . 0.0 111.627 -178.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' B' ' 50' ' ' ASP . . . -65.29 -21.77 66.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.051 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -50.94 -36.67 39.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.347 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.507 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 73.8 mmtt -58.01 -37.44 74.29 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.576 ' CB ' ' HB2' ' B' ' 53' ' ' ALA . 89.9 m-20 -140.56 98.57 3.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.857 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.32 -40.95 89.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' B' ' 52' ' ' ASP . 48.9 p30 -89.08 5.26 45.3 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.576 ' HB2' ' CB ' ' B' ' 50' ' ' ASP . . . -63.04 -32.36 73.71 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.995 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.594 HG21 ' HD3' ' B' ' 34' ' ' LYS . 75.4 t -59.94 -44.96 95.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.421 -178.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -62.09 -42.3 99.07 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.166 -0.613 . . . . 0.0 110.547 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -62.28 -39.89 94.42 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.082 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 53' ' ' ALA . 70.6 t -66.41 -45.88 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.111 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.425 ' HG3' ' N ' ' B' ' 59' ' ' LYS . 2.6 ppp? -66.96 -36.16 81.59 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.36 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' B' ' 58' ' ' MET . 81.6 tttt -58.66 -41.51 86.27 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.431 -179.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.12 -39.03 92.5 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.063 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.983 HD11 HD22 ' B' ' 77' ' ' LEU . 46.8 mt -68.08 -35.79 78.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.929 0.395 . . . . 0.0 110.839 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -91.42 32.23 1.08 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.012 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.02 -29.87 45.25 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.392 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.513 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 13.2 m120 -51.8 -32.91 33.22 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.38 -177.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.04 1.82 61.15 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 108.755 -1.738 . . . . 0.0 108.755 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.695 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.1 p30 -61.65 -35.98 79.51 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.784 -0.708 . . . . 0.0 111.478 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.695 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 89.97 -6.67 82.65 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.467 ' OE2' ' CB ' ' B' ' 27' ' ' LYS . 79.9 tt0 -122.77 148.26 45.56 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.4 t -100.72 128.69 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.707 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -87.39 134.23 33.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.676 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.446 ' CD1' ' CE2' ' B' ' 15' ' ' PHE . 88.7 t80 -50.45 -39.23 47.14 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.941 -0.703 . . . . 0.0 110.282 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.508 ' O ' HG12 ' B' ' 75' ' ' VAL . 63.3 tt0 -55.9 -41.03 73.9 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.542 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.513 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 99.4 mt-10 -68.1 -39.78 82.74 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.068 0.461 . . . . 0.0 110.764 178.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.497 ' CE2' HG11 ' B' ' 78' ' ' VAL . 85.9 t80 -65.25 -43.41 91.44 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.542 HG22 ' HB1' ' A' ' 79' ' ' ALA . 5.5 p -56.6 -36.5 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.709 -178.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.44 HG13 HG13 ' A' ' 76' ' ' VAL . 70.8 t -66.61 -41.5 88.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.124 178.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.983 HD22 HD11 ' B' ' 61' ' ' LEU . 35.8 tp -61.29 -42.44 98.64 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.391 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.61 ' O ' HG23 ' B' ' 82' ' ' THR . 23.1 m -71.52 -33.65 50.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.6 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.915 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -60.96 -45.86 93.06 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.688 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.17 -34.52 76.46 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.591 HD21 HD11 ' B' ' 45' ' ' LEU . 26.1 tp -60.69 -38.57 85.42 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.718 -178.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.61 HG23 ' O ' ' B' ' 78' ' ' VAL . 11.6 p -58.2 -40.2 80.98 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 119.564 -0.854 . . . . 0.0 109.013 -178.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.88 -40.96 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.106 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.58 -34.12 77.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.537 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -34.31 73.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.955 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.785 HD21 HD13 ' A' ' 12' ' ' ILE . 24.6 m120 -56.08 -34.07 65.64 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.519 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.482 ' HA ' ' NE1' ' B' ' 90' ' ' TRP . 20.5 t-20 -53.97 -41.91 68.38 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.533 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -63.69 -43.69 95.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.844 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.14 -49.62 76.9 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -177.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.485 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 70.3 p-90 -87.5 0.93 54.84 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.662 -0.815 . . . . 0.0 112.0 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.19 -33.55 63.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.337 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -54.81 -37.31 65.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.55 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.578 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_