data_2l7l_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 2l7l _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 full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 38.9 p-10 -91.87 2.0 56.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.501 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -141.59 92.05 2.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.624 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 10.4 mp -97.36 136.12 38.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.228 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.1 p -78.73 162.23 26.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.37 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -69.92 -13.76 62.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.736 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -74.57 -54.47 7.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.997 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -67.64 -34.93 77.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.117 0.484 . . . . 0.0 110.588 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.0 -41.03 91.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.212 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.5 83.88 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.932 0.396 . . . . 0.0 110.971 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.549 ' OE2' ' NZ ' ' B' ' 304' ' ' LYS . 81.9 mt-10 -57.83 -47.42 82.71 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.151 0.501 . . . . 0.0 110.28 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 1.9 m-85 -71.82 -25.59 62.05 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.325 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -60.18 -49.31 78.14 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.912 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' O ' ' OG ' ' A' ' 17' ' ' SER . 80.1 mm-40 -66.2 -49.21 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -59.02 -37.35 76.71 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.106 0.479 . . . . 0.0 110.113 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -56.18 -46.36 79.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.658 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 14' ' ' GLU . 96.5 p -61.44 -39.15 89.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.971 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.87 -23.47 67.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.363 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 48.5 m-85 -93.82 -35.58 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.64 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 3.7 t70 -91.69 89.13 6.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.45 -40.98 96.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.223 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.474 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 39.8 p30 -79.64 -5.65 55.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.726 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.469 ' CA ' ' OD1' ' A' ' 20' ' ' ASP . . . 48.46 34.72 14.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.6 p30 -75.93 -4.51 41.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.675 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.69 9.83 85.91 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.445 ' O ' ' OD2' ' A' ' 20' ' ' ASP . 75.0 p -143.4 145.31 32.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.733 0.302 . . . . 0.0 110.357 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.9 mt -112.23 131.05 64.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.06 0.457 . . . . 0.0 110.667 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.419 ' HG1' ' H ' ' A' ' 31' ' ' GLU . 6.7 p -99.52 169.1 9.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.409 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.1 m -60.64 -44.57 96.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.605 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.466 ' O ' ' OG1' ' A' ' 34' ' ' THR . 37.5 ttpt -61.82 -37.46 84.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.638 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.419 ' H ' ' HG1' ' A' ' 28' ' ' THR . 98.5 mt-10 -69.52 -57.72 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.859 -0.337 . . . . 0.0 111.147 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.33 -36.99 71.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.123 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.537 ' C ' ' HE ' ' A' ' 37' ' ' ARG . . . -72.68 -45.99 32.95 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.628 ' N ' HH21 ' A' ' 37' ' ' ARG . 70.9 m -57.41 -50.18 73.83 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.178 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.419 ' CG2' ' N ' ' A' ' 36' ' ' MET . 25.8 m -64.92 -45.85 93.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.538 ' SD ' ' SD ' ' A' ' 51' ' ' MET . 22.6 mtt -60.66 -52.38 65.38 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.178 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.628 HH21 ' N ' ' A' ' 34' ' ' THR . 87.9 mtm180 -55.99 -33.7 65.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.809 0.337 . . . . 0.0 110.243 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.616 ' C ' ' H ' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -60.23 -21.12 61.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.821 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.7 mt -68.1 24.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.963 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.616 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 75.79 12.49 83.84 Favored Glycine 0 C--N 1.331 0.288 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.517 ' C ' HD21 ' A' ' 42' ' ' ASN . 46.0 mt-30 -110.11 152.2 26.3 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.517 HD21 ' C ' ' A' ' 41' ' ' GLN . 3.1 m120 -126.88 55.12 13.66 Favored Pre-proline 0 N--CA 1.465 0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.12 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 42' ' ' ASN . 28.2 Cg_endo -61.36 146.74 96.92 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.984 2.456 . . . . 0.0 111.329 178.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -78.94 159.35 27.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.079 0.466 . . . . 0.0 110.796 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -53.52 -36.72 62.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.415 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.25 -34.41 75.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.299 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -68.84 -39.53 79.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.212 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.2 mt -72.01 -49.87 33.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.175 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -52.36 -46.91 66.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.181 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.98 -40.2 95.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.131 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.538 ' SD ' ' SD ' ' A' ' 36' ' ' MET . 26.5 ttm -59.23 -46.55 88.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.353 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 56' ' ' ASP . 71.6 mt -70.89 -50.64 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -51.07 -32.64 22.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.73 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.516 ' OE2' ' NH2' ' A' ' 74' ' ' ARG . 83.0 tt0 -64.58 -44.69 89.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 p -88.65 -19.27 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.584 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.626 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 2.3 t70 -70.64 84.96 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.89 64.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.277 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 3.9 p30 -102.6 -6.68 22.52 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.733 0.301 . . . . 0.0 111.384 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.626 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 56.39 33.13 61.45 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.547 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 53.2 p-10 -76.99 -6.92 54.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 0.0 110.787 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.94 4.05 84.95 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.441 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 58.0 p -144.54 151.82 39.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.3 pt -118.33 127.69 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.085 0.469 . . . . 0.0 110.716 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -87.24 171.68 10.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.165 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.517 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 19.7 t80 -45.64 -53.39 19.81 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.179 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 52.8 Cg_exo -52.36 -46.43 33.02 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.084 1.856 . . . . 0.0 111.798 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -61.92 -34.43 76.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.037 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.76 -45.99 88.46 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.2 mt -57.47 -33.15 67.67 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.5 m -63.92 -48.74 75.36 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.623 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.5 ttp -56.47 -52.13 65.84 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-O 121.539 0.685 . . . . 0.0 110.537 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.1 mmt -66.12 -34.85 78.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.743 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.43 -35.23 78.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.71 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.516 ' NH2' ' OE2' ' A' ' 54' ' ' GLU . 71.9 mtp85 -61.33 -46.34 90.68 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.384 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 46.6 tptt -77.11 -34.3 56.79 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.274 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.504 ' O ' ' OG1' ' A' ' 79' ' ' THR . 62.2 tpp -61.46 -31.81 71.78 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.42 -178.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -62.72 -48.77 77.79 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.792 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 39.8 p-10 -97.6 26.68 4.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.541 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.504 ' OG1' ' O ' ' A' ' 76' ' ' MET . 56.9 m -42.25 103.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.598 ' N ' ' OE1' ' A' ' 84' ' ' GLU . 98.2 m-20 -100.32 75.02 1.77 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.273 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 97.1 p -42.69 -25.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.626 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 80' ' ' ASP . 83.2 tt0 -65.47 -70.49 0.23 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.798 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.451 ' O ' ' NH1' ' B' ' 314' ' ' ARG . 97.0 mt-10 -68.8 -42.41 77.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.648 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.598 ' OE1' ' N ' ' A' ' 80' ' ' ASP . 48.2 mt-10 -48.48 -55.03 12.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.835 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.65 -43.17 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.561 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.438 HH12 HH11 ' A' ' 90' ' ' ARG . 72.1 ttt-85 -54.13 -53.25 55.92 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.185 -178.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -67.87 -41.9 82.14 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.654 -0.419 . . . . 0.0 111.049 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.9 87.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.618 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -56.58 -38.47 72.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.908 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.438 HH11 HH12 ' A' ' 86' ' ' ARG . 81.1 mtp180 -66.4 -39.43 89.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.044 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.446 ' O ' ' NZ ' ' A' ' 94' ' ' LYS . 79.3 t -62.41 -46.17 97.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.954 0.407 . . . . 0.0 110.499 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -71.01 -34.81 71.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.296 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.492 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 2.5 t70 -91.78 82.29 5.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.964 0.411 . . . . 0.0 110.425 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 91' ' ' VAL . 44.2 mmtm -62.35 -43.48 98.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.119 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 47.7 p30 -73.11 -15.27 61.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.759 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.498 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 61.95 30.94 76.8 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 41.0 p30 -74.9 -11.01 60.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.816 0.341 . . . . 0.0 110.715 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.6 -6.22 74.14 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.492 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 95.5 m-85 -127.02 138.66 53.28 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -99.46 119.16 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.3 p -93.09 169.26 10.55 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.476 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.23 90.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.33 -48.57 78.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.797 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.9 -58.7 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.86 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tt -50.5 -43.82 55.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.052 0.453 . . . . 0.0 110.599 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.531 ' NH1' ' OD1' ' A' ' 118' ' ' ASP . 62.4 ttp180 -63.94 -36.23 83.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.484 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.536 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 55.7 t-80 -64.06 -51.67 63.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.386 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.7 m -63.15 -39.34 84.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.501 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.71 -40.19 96.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.431 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 84.0 m -67.17 -30.62 70.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.499 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 107' ' ' HIS . 4.2 m120 -61.93 -36.42 81.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.431 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.7 mt -71.73 -0.07 10.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.85 8.97 78.65 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -86.15 127.96 34.8 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -94.56 94.52 8.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.946 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 52.4 mt -108.76 141.75 40.3 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.409 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 7.1 p -92.93 169.68 10.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.603 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.531 ' OD1' ' NH1' ' A' ' 106' ' ' ARG . 67.5 m-20 -61.24 -35.2 76.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.895 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -66.56 -42.6 86.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.372 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.409 ' H ' ' HG1' ' A' ' 117' ' ' THR . 98.2 mt-10 -66.24 -41.17 90.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.9 t -64.52 -43.57 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.398 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.24 -42.75 99.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.428 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -63.98 -40.42 96.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.372 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.1 ttt -60.46 -47.55 85.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.064 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 129' ' ' ASP . 73.2 mt -69.69 -47.13 72.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.005 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.2 ttt-85 -60.7 -44.66 96.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.493 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' B' ' 299' ' ' ALA . 85.3 tt0 -67.75 -26.84 66.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.649 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.38 -23.25 18.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.758 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.576 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 45.3 t0 -87.88 108.21 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.517 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.42 ' CG1' ' N ' ' A' ' 131' ' ' ASP . 7.6 pt -67.21 -41.24 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.719 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 10.8 p30 -76.22 -27.31 56.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.805 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 75.09 34.02 53.16 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.576 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 43.8 p-10 -81.01 4.24 20.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.601 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.7 11.62 81.39 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.43 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 72.5 mt-30 -146.29 161.91 39.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.691 0.282 . . . . 0.0 110.394 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.2 t -116.81 122.81 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.516 ' CG ' ' H ' ' A' ' 138' ' ' TYR . 19.6 t-20 -95.07 177.04 6.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.295 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.516 ' H ' ' CG ' ' A' ' 137' ' ' ASN . 76.1 t80 -60.45 -48.03 83.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.579 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -60.19 -41.68 93.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.29 0.567 . . . . 0.0 110.073 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.437 ' OE1' ' OD1' ' A' ' 129' ' ' ASP . 98.8 mt-10 -67.94 -33.79 75.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.197 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -59.28 -51.51 69.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.535 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.0 p -64.96 -35.88 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.269 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -66.79 -35.83 80.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.172 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.578 ' O ' ' NZ ' ' B' ' 300' ' ' LYS . 12.2 tpt -75.41 -24.96 57.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.594 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.513 ' C ' ' HZ2' ' B' ' 300' ' ' LYS . 10.7 mmt -65.29 -8.32 17.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.24 0.337 . . . . 0.0 110.532 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.8 p -44.89 125.24 4.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.343 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -72.63 5.59 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.704 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.46 179.887 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 299' ' ' ALA . . . . . 0.467 ' CB ' ' OE1' ' A' ' 127' ' ' GLU . . . . . . . . 0 N--CA 1.488 1.445 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 300' ' ' LYS . . . . . 0.578 ' NZ ' ' O ' ' A' ' 144' ' ' MET . 1.8 tmtm? -62.12 -35.24 78.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.261 0.553 . . . . 0.0 109.837 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 301' ' ' SER . . . . . . . . . . . . . 11.5 t -57.9 -43.47 86.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.282 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 302' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -60.5 -40.62 92.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.023 0.44 . . . . 0.0 110.529 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 303' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -59.72 -46.28 89.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.95 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 304' ' ' LYS . . . . . 0.549 ' NZ ' ' OE2' ' A' ' 11' ' ' GLU . 97.4 mttt -60.3 -40.26 89.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.859 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 305' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -55.02 -69.44 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.1 87.39 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.061 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -60.32 -53.28 59.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.08 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 308' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -64.87 -40.27 94.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.108 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 309' ' ' ALA . . . . . . . . . . . . . . . -55.25 -48.61 73.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.265 0.555 . . . . 0.0 111.309 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 310' ' ' THR . . . . . . . . . . . . . 39.9 p -71.21 -38.25 72.05 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.267 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.07 -49.41 67.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.339 0.59 . . . . 0.0 111.892 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 312' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.01 -36.08 76.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.051 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 313' ' ' VAL . . . . . . . . . . . . . 37.3 t -60.55 -48.25 89.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.912 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 314' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 83' ' ' GLU . 15.8 ptm180 -68.33 -32.88 73.31 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.322 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 315' ' ' HIS . . . . . 0.404 ' N ' ' HG3' ' B' ' 314' ' ' ARG . 72.3 t60 -77.41 -53.74 7.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.175 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 316' ' ' MET . . . . . . . . . . . . . 77.9 mmm -61.71 -42.04 98.41 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -68.02 -35.94 79.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.281 0.562 . . . . 0.0 110.716 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 318' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -63.3 -42.57 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.863 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . . . . . . . . . 88.2 mt -56.92 -23.23 43.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.557 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 320' ' ' GLN . . . . . 0.453 ' NE2' ' N ' ' A' ' 51' ' ' MET . 71.8 mt-30 . . . . . 0 C--N 1.325 -0.491 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.481 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 38.9 p-10 -91.87 2.0 56.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.501 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -141.59 92.05 2.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.624 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 4' ' ' LEU . 10.4 mp -97.36 136.12 38.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.228 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.1 p -78.73 162.23 26.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.37 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -69.92 -13.76 62.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.736 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -74.57 -54.47 7.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.997 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -67.64 -34.93 77.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.117 0.484 . . . . 0.0 110.588 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.0 -41.03 91.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.212 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.5 83.88 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.932 0.396 . . . . 0.0 110.971 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.527 ' OE2' ' NZ ' ' B' ' 304' ' ' LYS . 81.9 mt-10 -57.83 -47.42 82.71 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.151 0.501 . . . . 0.0 110.28 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 1.9 m-85 -71.82 -25.59 62.05 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.325 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -60.18 -49.31 78.14 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.912 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -66.2 -49.21 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.456 ' HB2' ' HG2' ' B' ' 305' ' ' GLN . . . -59.02 -37.35 76.71 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.106 0.479 . . . . 0.0 110.113 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -56.18 -46.36 79.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.658 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.5 p -61.44 -39.15 89.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.971 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.641 HD21 ' HB3' ' A' ' 112' ' ' LEU . 5.9 tt -64.87 -23.47 67.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.363 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 48.5 m-85 -93.82 -35.58 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.64 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 3.7 t70 -91.69 89.13 6.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.45 -40.98 96.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.223 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.474 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 39.8 p30 -79.64 -5.65 55.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.726 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.469 ' CA ' ' OD1' ' A' ' 20' ' ' ASP . . . 48.46 34.72 14.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.6 p30 -75.93 -4.51 41.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.675 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.69 9.83 85.91 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.445 ' O ' ' OD2' ' A' ' 20' ' ' ASP . 75.0 p -143.4 145.31 32.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.733 0.302 . . . . 0.0 110.357 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.9 mt -112.23 131.05 64.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.06 0.457 . . . . 0.0 110.667 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 p -99.52 169.1 9.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.409 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.1 m -60.64 -44.57 96.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.605 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.82 -37.46 84.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.638 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.44 ' O ' HG22 ' A' ' 35' ' ' VAL . 98.5 mt-10 -69.52 -57.72 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.859 -0.337 . . . . 0.0 111.147 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.33 -36.99 71.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.123 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.567 ' C ' ' HE ' ' A' ' 37' ' ' ARG . . . -72.68 -45.99 32.95 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.648 ' N ' HH21 ' A' ' 37' ' ' ARG . 70.9 m -57.41 -50.18 73.83 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.178 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.581 HG23 ' N ' ' A' ' 36' ' ' MET . 25.8 m -64.92 -45.85 93.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.581 ' N ' HG23 ' A' ' 35' ' ' VAL . 22.6 mtt -60.66 -52.38 65.38 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.178 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.648 HH21 ' N ' ' A' ' 34' ' ' THR . 87.9 mtm180 -55.99 -33.7 65.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.809 0.337 . . . . 0.0 110.243 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.581 ' C ' ' H ' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -60.23 -21.12 61.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.821 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.516 HD21 HD21 ' A' ' 112' ' ' LEU . 71.7 mt -68.1 24.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.963 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.581 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 75.79 12.49 83.84 Favored Glycine 0 C--N 1.331 0.288 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -110.11 152.2 26.3 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.437 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 8.9 m-20 -126.88 55.12 13.66 Favored Pre-proline 0 N--CA 1.465 0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.12 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 42' ' ' ASN . 28.2 Cg_endo -61.36 146.74 96.92 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.984 2.456 . . . . 0.0 111.329 178.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -78.94 159.35 27.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.079 0.466 . . . . 0.0 110.796 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -53.52 -36.72 62.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.415 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.25 -34.41 75.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.299 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -68.84 -39.53 79.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.212 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.2 mt -72.01 -49.87 33.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.175 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -52.36 -46.91 66.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.181 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.98 -40.2 95.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.131 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.538 ' SD ' ' SD ' ' A' ' 36' ' ' MET . 26.5 ttm -59.23 -46.55 88.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.353 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.6 mt -70.89 -50.64 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -51.07 -32.64 22.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.73 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.516 ' OE2' ' NH2' ' A' ' 74' ' ' ARG . 83.0 tt0 -64.58 -44.69 89.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 p -88.65 -19.27 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.584 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.626 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 2.3 t70 -70.64 84.96 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.89 64.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.277 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 3.9 p30 -102.6 -6.68 22.52 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.733 0.301 . . . . 0.0 111.384 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.626 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 56.39 33.13 61.45 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.547 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 53.2 p-10 -76.99 -6.92 54.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 0.0 110.787 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.94 4.05 84.95 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.441 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 58.0 p -144.54 151.82 39.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.426 HG22 ' OE1' ' A' ' 67' ' ' GLU . 5.3 pt -118.33 127.69 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.085 0.469 . . . . 0.0 110.716 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -87.24 171.68 10.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.165 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.58 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 19.7 t80 -45.64 -53.39 19.81 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.179 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 52.8 Cg_exo -52.36 -46.43 33.02 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.084 1.856 . . . . 0.0 111.798 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.426 ' OE1' HG22 ' A' ' 63' ' ' ILE . 54.7 mt-10 -61.92 -34.43 76.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.037 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.76 -45.99 88.46 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.456 HD11 ' CZ ' ' A' ' 65' ' ' PHE . 36.2 mt -57.47 -33.15 67.67 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.5 m -63.92 -48.74 75.36 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.623 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.5 ttp -56.47 -52.13 65.84 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-O 121.539 0.685 . . . . 0.0 110.537 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.1 mmt -66.12 -34.85 78.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.743 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.43 -35.23 78.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.71 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.516 ' NH2' ' OE2' ' A' ' 54' ' ' GLU . 71.9 mtp85 -61.33 -46.34 90.68 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.384 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 46.6 tptt -77.11 -34.3 56.79 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.274 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.504 ' O ' ' OG1' ' A' ' 79' ' ' THR . 62.2 tpp -61.46 -31.81 71.78 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.42 -178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -62.72 -48.77 77.79 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.792 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 39.8 p-10 -97.6 26.68 4.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.541 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.504 ' OG1' ' O ' ' A' ' 76' ' ' MET . 56.9 m -42.25 103.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.598 ' N ' ' OE1' ' A' ' 84' ' ' GLU . 98.2 m-20 -100.32 75.02 1.77 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.273 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 97.1 p -42.69 -25.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.626 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 80' ' ' ASP . 83.2 tt0 -65.47 -70.49 0.23 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.798 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.451 ' O ' ' NH1' ' B' ' 314' ' ' ARG . 97.0 mt-10 -68.8 -42.41 77.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.648 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.598 ' OE1' ' N ' ' A' ' 80' ' ' ASP . 48.2 mt-10 -48.48 -55.03 12.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.835 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.404 HG23 ' CD1' ' A' ' 141' ' ' PHE . 96.8 mt -63.65 -43.17 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.561 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.452 HH12 HH11 ' A' ' 90' ' ' ARG . 72.1 ttt-85 -54.13 -53.25 55.92 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.185 -178.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -67.87 -41.9 82.14 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.654 -0.419 . . . . 0.0 111.049 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.491 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -63.85 -45.9 87.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.618 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -56.58 -38.47 72.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.908 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.452 HH11 HH12 ' A' ' 86' ' ' ARG . 81.1 mtp180 -66.4 -39.43 89.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.044 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 79.3 t -62.41 -46.17 97.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.954 0.407 . . . . 0.0 110.499 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.491 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 3.8 m-85 -71.01 -34.81 71.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.296 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.492 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 2.5 t70 -91.78 82.29 5.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.964 0.411 . . . . 0.0 110.425 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -62.35 -43.48 98.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.119 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 47.7 p30 -73.11 -15.27 61.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.759 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.498 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 61.95 30.94 76.8 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 41.0 p30 -74.9 -11.01 60.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.816 0.341 . . . . 0.0 110.715 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.6 -6.22 74.14 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.492 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 95.5 m-85 -127.02 138.66 53.28 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -99.46 119.16 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.3 p -93.09 169.26 10.55 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.476 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.44 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -65.93 -39.23 90.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.33 -48.57 78.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.797 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.9 -58.7 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.86 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.511 HD21 ' SD ' ' A' ' 124' ' ' MET . 6.2 tt -50.5 -43.82 55.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.052 0.453 . . . . 0.0 110.599 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.531 ' NH1' ' OD1' ' A' ' 118' ' ' ASP . 62.4 ttp180 -63.94 -36.23 83.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.484 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.536 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 55.7 t-80 -64.06 -51.67 63.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.386 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.7 m -63.15 -39.34 84.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.501 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.71 -40.19 96.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.431 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 84.0 m -67.17 -30.62 70.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.499 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 107' ' ' HIS . 4.2 m120 -61.93 -36.42 81.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.431 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.641 ' HB3' HD21 ' A' ' 18' ' ' LEU . 90.7 mt -71.73 -0.07 10.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.85 8.97 78.65 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -86.15 127.96 34.8 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -94.56 94.52 8.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.946 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 52.4 mt -108.76 141.75 40.3 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.1 p -92.93 169.68 10.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.603 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.531 ' OD1' ' NH1' ' A' ' 106' ' ' ARG . 67.5 m-20 -61.24 -35.2 76.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.895 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -66.56 -42.6 86.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.372 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.24 -41.17 90.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.416 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.9 t -64.52 -43.57 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.398 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.24 -42.75 99.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.428 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -63.98 -40.42 96.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.372 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.511 ' SD ' HD21 ' A' ' 105' ' ' LEU . 26.1 ttt -60.46 -47.55 85.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.064 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 129' ' ' ASP . 73.2 mt -69.69 -47.13 72.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.005 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.2 ttt-85 -60.7 -44.66 96.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.493 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' B' ' 299' ' ' ALA . 85.3 tt0 -67.75 -26.84 66.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.649 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.38 -23.25 18.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.758 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.576 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 45.3 t0 -87.88 108.21 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.517 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.42 ' CG1' ' N ' ' A' ' 131' ' ' ASP . 7.6 pt -67.21 -41.24 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.719 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 10.8 p30 -76.22 -27.31 56.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.805 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 75.09 34.02 53.16 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.576 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 43.8 p-10 -81.01 4.24 20.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.601 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.7 11.62 81.39 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.43 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 72.5 mt-30 -146.29 161.91 39.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.691 0.282 . . . . 0.0 110.394 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.2 t -116.81 122.81 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.474 ' CG ' ' H ' ' A' ' 138' ' ' TYR . 19.6 t-20 -95.07 177.04 6.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.295 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.474 ' H ' ' CG ' ' A' ' 137' ' ' ASN . 76.1 t80 -60.45 -48.03 83.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.579 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -60.19 -41.68 93.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.29 0.567 . . . . 0.0 110.073 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.437 ' OE1' ' OD1' ' A' ' 129' ' ' ASP . 98.8 mt-10 -67.94 -33.79 75.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.197 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.404 ' CD1' HG23 ' A' ' 85' ' ' ILE . 7.2 t80 -59.28 -51.51 69.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.535 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.0 p -64.96 -35.88 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.269 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.521 ' O ' HG23 ' A' ' 146' ' ' THR . 68.6 tp60 -66.79 -35.83 80.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.172 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.578 ' O ' ' NZ ' ' B' ' 300' ' ' LYS . 12.2 tpt -75.41 -24.96 57.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.594 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.524 ' HA ' ' HZ1' ' B' ' 300' ' ' LYS . 10.7 mmt -65.29 -8.32 17.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.24 0.337 . . . . 0.0 110.532 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 143' ' ' GLN . 8.8 p -44.89 125.24 4.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.343 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -72.63 5.59 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.704 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.46 179.887 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 299' ' ' ALA . . . . . 0.467 ' CB ' ' OE1' ' A' ' 127' ' ' GLU . . . . . . . . 0 N--CA 1.488 1.445 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 300' ' ' LYS . . . . . 0.578 ' NZ ' ' O ' ' A' ' 144' ' ' MET . 1.8 tmtm? -62.12 -35.24 78.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.261 0.553 . . . . 0.0 109.837 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 301' ' ' SER . . . . . . . . . . . . . 11.5 t -57.9 -43.47 86.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.282 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 302' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -60.5 -40.62 92.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.023 0.44 . . . . 0.0 110.529 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 303' ' ' TRP . . . . . 0.423 ' CD1' ' HE3' ' A' ' 144' ' ' MET . 66.2 m95 -59.72 -46.28 89.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.95 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 304' ' ' LYS . . . . . 0.527 ' NZ ' ' OE2' ' A' ' 11' ' ' GLU . 97.4 mttt -60.3 -40.26 89.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.859 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 305' ' ' GLN . . . . . 0.456 ' HG2' ' HB2' ' A' ' 15' ' ' ALA . 96.7 mt-30 -55.02 -69.44 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.1 87.39 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.061 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -60.32 -53.28 59.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.08 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 308' ' ' ASN . . . . . 0.409 ' O ' HG12 ' B' ' 312' ' ' VAL . 91.1 m-20 -64.87 -40.27 94.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.108 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 309' ' ' ALA . . . . . 0.702 ' O ' HG23 ' B' ' 313' ' ' VAL . . . -55.25 -48.61 73.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.265 0.555 . . . . 0.0 111.309 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 310' ' ' THR . . . . . . . . . . . . . 39.9 p -71.21 -38.25 72.05 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.267 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.07 -49.41 67.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.339 0.59 . . . . 0.0 111.892 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 312' ' ' VAL . . . . . 0.412 HG13 ' N ' ' B' ' 313' ' ' VAL . 7.1 p -65.01 -36.08 76.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.051 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 313' ' ' VAL . . . . . 0.702 HG23 ' O ' ' B' ' 309' ' ' ALA . 37.3 t -60.55 -48.25 89.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.912 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 314' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 83' ' ' GLU . 15.8 ptm180 -68.33 -32.88 73.31 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.322 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 315' ' ' HIS . . . . . 0.503 ' NE2' HD11 ' B' ' 319' ' ' LEU . 72.3 t60 -77.41 -53.74 7.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.175 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 316' ' ' MET . . . . . . . . . . . . . 77.9 mmm -61.71 -42.04 98.41 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -68.02 -35.94 79.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.281 0.562 . . . . 0.0 110.716 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 318' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -63.3 -42.57 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.863 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.503 HD11 ' NE2' ' B' ' 315' ' ' HIS . 88.2 mt -56.92 -23.23 43.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.557 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 320' ' ' GLN . . . . . 0.453 ' NE2' ' N ' ' A' ' 51' ' ' MET . 71.8 mt-30 . . . . . 0 C--N 1.325 -0.491 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.481 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 404' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 38.9 p-10 -91.87 2.0 56.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.501 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -141.59 92.05 2.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.624 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 4' ' ' LEU . 10.4 mp -97.36 136.12 38.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.228 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.1 p -78.73 162.23 26.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.37 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -69.92 -13.76 62.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.736 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -74.57 -54.47 7.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.997 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -67.64 -34.93 77.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.117 0.484 . . . . 0.0 110.588 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.0 -41.03 91.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.212 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.5 83.88 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.932 0.396 . . . . 0.0 110.971 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.527 ' OE2' ' NZ ' ' B' ' 304' ' ' LYS . 81.9 mt-10 -57.83 -47.42 82.71 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.151 0.501 . . . . 0.0 110.28 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.433 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 1.9 m-85 -71.82 -25.59 62.05 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.325 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -60.18 -49.31 78.14 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.912 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -66.2 -49.21 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.456 ' HB2' ' HG2' ' B' ' 305' ' ' GLN . . . -59.02 -37.35 76.71 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.106 0.479 . . . . 0.0 110.113 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -56.18 -46.36 79.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.658 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.5 p -61.44 -39.15 89.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.971 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.641 HD21 ' HB3' ' A' ' 112' ' ' LEU . 5.9 tt -64.87 -23.47 67.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.363 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 48.5 m-85 -93.82 -35.58 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.64 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 3.7 t70 -91.69 89.13 6.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.45 -40.98 96.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.223 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.474 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 39.8 p30 -79.64 -5.65 55.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.726 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.469 ' CA ' ' OD1' ' A' ' 20' ' ' ASP . . . 48.46 34.72 14.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.6 p30 -75.93 -4.51 41.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.675 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.69 9.83 85.91 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.445 ' O ' ' OD2' ' A' ' 20' ' ' ASP . 75.0 p -143.4 145.31 32.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.733 0.302 . . . . 0.0 110.357 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.9 mt -112.23 131.05 64.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.06 0.457 . . . . 0.0 110.667 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 p -99.52 169.1 9.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.409 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.1 m -60.64 -44.57 96.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.605 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.82 -37.46 84.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.638 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.44 ' O ' HG22 ' A' ' 35' ' ' VAL . 98.5 mt-10 -69.52 -57.72 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.859 -0.337 . . . . 0.0 111.147 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.33 -36.99 71.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.123 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.567 ' C ' ' HE ' ' A' ' 37' ' ' ARG . . . -72.68 -45.99 32.95 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.648 ' N ' HH21 ' A' ' 37' ' ' ARG . 70.9 m -57.41 -50.18 73.83 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.178 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.581 HG23 ' N ' ' A' ' 36' ' ' MET . 25.8 m -64.92 -45.85 93.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.581 ' N ' HG23 ' A' ' 35' ' ' VAL . 22.6 mtt -60.66 -52.38 65.38 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.178 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.648 HH21 ' N ' ' A' ' 34' ' ' THR . 87.9 mtm180 -55.99 -33.7 65.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.809 0.337 . . . . 0.0 110.243 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.581 ' C ' ' H ' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -60.23 -21.12 61.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.821 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.516 HD21 HD21 ' A' ' 112' ' ' LEU . 71.7 mt -68.1 24.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.963 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.581 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 75.79 12.49 83.84 Favored Glycine 0 C--N 1.331 0.288 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.533 ' C ' HD22 ' A' ' 42' ' ' ASN . 46.0 mt-30 -110.11 152.2 26.3 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.533 HD22 ' C ' ' A' ' 41' ' ' GLN . 3.1 m120 -126.88 55.12 13.66 Favored Pre-proline 0 N--CA 1.465 0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.12 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 42' ' ' ASN . 28.2 Cg_endo -61.36 146.74 96.92 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.984 2.456 . . . . 0.0 111.329 178.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -78.94 159.35 27.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.079 0.466 . . . . 0.0 110.796 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -53.52 -36.72 62.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.415 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.25 -34.41 75.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.299 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -68.84 -39.53 79.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.212 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.2 mt -72.01 -49.87 33.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.175 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -52.36 -46.91 66.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.181 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.98 -40.2 95.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.131 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.538 ' SD ' ' SD ' ' A' ' 36' ' ' MET . 26.5 ttm -59.23 -46.55 88.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.353 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.6 mt -70.89 -50.64 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -51.07 -32.64 22.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.73 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.516 ' OE2' ' NH2' ' A' ' 74' ' ' ARG . 83.0 tt0 -64.58 -44.69 89.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 p -88.65 -19.27 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.584 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.626 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 2.3 t70 -70.64 84.96 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.89 64.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.277 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 3.9 p30 -102.6 -6.68 22.52 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.733 0.301 . . . . 0.0 111.384 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.626 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 56.39 33.13 61.45 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.547 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 53.2 p-10 -76.99 -6.92 54.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 0.0 110.787 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.94 4.05 84.95 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.441 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 58.0 p -144.54 151.82 39.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.426 HG22 ' OE1' ' A' ' 67' ' ' GLU . 5.3 pt -118.33 127.69 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.085 0.469 . . . . 0.0 110.716 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -87.24 171.68 10.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.165 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.58 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 19.7 t80 -45.64 -53.39 19.81 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.179 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 52.8 Cg_exo -52.36 -46.43 33.02 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.084 1.856 . . . . 0.0 111.798 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.426 ' OE1' HG22 ' A' ' 63' ' ' ILE . 54.7 mt-10 -61.92 -34.43 76.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.037 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.76 -45.99 88.46 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.456 HD11 ' CZ ' ' A' ' 65' ' ' PHE . 36.2 mt -57.47 -33.15 67.67 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.5 m -63.92 -48.74 75.36 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.623 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.5 ttp -56.47 -52.13 65.84 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-O 121.539 0.685 . . . . 0.0 110.537 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.1 mmt -66.12 -34.85 78.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.743 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.43 -35.23 78.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.71 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.516 ' NH2' ' OE2' ' A' ' 54' ' ' GLU . 71.9 mtp85 -61.33 -46.34 90.68 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.384 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 46.6 tptt -77.11 -34.3 56.79 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.274 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.504 ' O ' ' OG1' ' A' ' 79' ' ' THR . 62.2 tpp -61.46 -31.81 71.78 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.42 -178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -62.72 -48.77 77.79 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.792 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 39.8 p-10 -97.6 26.68 4.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.541 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.504 ' OG1' ' O ' ' A' ' 76' ' ' MET . 56.9 m -42.25 103.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.598 ' N ' ' OE1' ' A' ' 84' ' ' GLU . 98.2 m-20 -100.32 75.02 1.77 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.273 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 97.1 p -42.69 -25.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.626 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 80' ' ' ASP . 83.2 tt0 -65.47 -70.49 0.23 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.798 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.451 ' O ' ' NH1' ' B' ' 314' ' ' ARG . 97.0 mt-10 -68.8 -42.41 77.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.648 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.598 ' OE1' ' N ' ' A' ' 80' ' ' ASP . 48.2 mt-10 -48.48 -55.03 12.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.835 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.404 HG23 ' CD1' ' A' ' 141' ' ' PHE . 96.8 mt -63.65 -43.17 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.561 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.452 HH12 HH11 ' A' ' 90' ' ' ARG . 72.1 ttt-85 -54.13 -53.25 55.92 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.185 -178.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -67.87 -41.9 82.14 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.654 -0.419 . . . . 0.0 111.049 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.491 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -63.85 -45.9 87.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.618 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -56.58 -38.47 72.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.908 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.452 HH11 HH12 ' A' ' 86' ' ' ARG . 81.1 mtp180 -66.4 -39.43 89.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.044 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 79.3 t -62.41 -46.17 97.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.954 0.407 . . . . 0.0 110.499 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.491 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 3.8 m-85 -71.01 -34.81 71.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.296 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.492 ' OD2' ' O ' ' A' ' 99' ' ' TYR . 2.5 t70 -91.78 82.29 5.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.964 0.411 . . . . 0.0 110.425 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -62.35 -43.48 98.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.119 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 47.7 p30 -73.11 -15.27 61.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.759 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.498 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 61.95 30.94 76.8 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 41.0 p30 -74.9 -11.01 60.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.816 0.341 . . . . 0.0 110.715 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.6 -6.22 74.14 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.492 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 95.5 m-85 -127.02 138.66 53.28 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -99.46 119.16 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.3 p -93.09 169.26 10.55 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.476 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.44 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -65.93 -39.23 90.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.33 -48.57 78.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.797 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.9 -58.7 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.86 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.511 HD21 ' SD ' ' A' ' 124' ' ' MET . 6.2 tt -50.5 -43.82 55.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.052 0.453 . . . . 0.0 110.599 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.531 ' NH1' ' OD1' ' A' ' 118' ' ' ASP . 62.4 ttp180 -63.94 -36.23 83.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.484 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.536 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 55.7 t-80 -64.06 -51.67 63.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.386 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.7 m -63.15 -39.34 84.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.501 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.71 -40.19 96.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.431 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 84.0 m -67.17 -30.62 70.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.499 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 107' ' ' HIS . 4.2 m120 -61.93 -36.42 81.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.431 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.641 ' HB3' HD21 ' A' ' 18' ' ' LEU . 90.7 mt -71.73 -0.07 10.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.85 8.97 78.65 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -86.15 127.96 34.8 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -94.56 94.52 8.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.946 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 52.4 mt -108.76 141.75 40.3 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.1 p -92.93 169.68 10.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.603 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.531 ' OD1' ' NH1' ' A' ' 106' ' ' ARG . 67.5 m-20 -61.24 -35.2 76.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.895 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -66.56 -42.6 86.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.372 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.24 -41.17 90.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.416 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.9 t -64.52 -43.57 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.398 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.24 -42.75 99.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.428 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -63.98 -40.42 96.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.372 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.511 ' SD ' HD21 ' A' ' 105' ' ' LEU . 26.1 ttt -60.46 -47.55 85.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.064 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 129' ' ' ASP . 73.2 mt -69.69 -47.13 72.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.005 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.2 ttt-85 -60.7 -44.66 96.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.493 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' B' ' 299' ' ' ALA . 85.3 tt0 -67.75 -26.84 66.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.649 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.38 -23.25 18.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.758 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.576 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 45.3 t0 -87.88 108.21 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.517 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.42 ' CG1' ' N ' ' A' ' 131' ' ' ASP . 7.6 pt -67.21 -41.24 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.719 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 10.8 p30 -76.22 -27.31 56.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.805 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 75.09 34.02 53.16 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.576 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 43.8 p-10 -81.01 4.24 20.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.601 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.7 11.62 81.39 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.43 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 72.5 mt-30 -146.29 161.91 39.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.691 0.282 . . . . 0.0 110.394 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.2 t -116.81 122.81 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.474 ' CG ' ' H ' ' A' ' 138' ' ' TYR . 19.6 t-20 -95.07 177.04 6.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.295 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.474 ' H ' ' CG ' ' A' ' 137' ' ' ASN . 76.1 t80 -60.45 -48.03 83.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.579 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -60.19 -41.68 93.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.29 0.567 . . . . 0.0 110.073 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.437 ' OE1' ' OD1' ' A' ' 129' ' ' ASP . 98.8 mt-10 -67.94 -33.79 75.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.197 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.404 ' CD1' HG23 ' A' ' 85' ' ' ILE . 7.2 t80 -59.28 -51.51 69.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.535 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.0 p -64.96 -35.88 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.269 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.521 ' O ' HG23 ' A' ' 146' ' ' THR . 68.6 tp60 -66.79 -35.83 80.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.172 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.578 ' O ' ' NZ ' ' B' ' 300' ' ' LYS . 12.2 tpt -75.41 -24.96 57.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.594 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.524 ' HA ' ' HZ1' ' B' ' 300' ' ' LYS . 10.7 mmt -65.29 -8.32 17.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.24 0.337 . . . . 0.0 110.532 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 143' ' ' GLN . 8.8 p -44.89 125.24 4.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.343 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -72.63 5.59 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.704 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.46 179.887 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 299' ' ' ALA . . . . . 0.467 ' CB ' ' OE1' ' A' ' 127' ' ' GLU . . . . . . . . 0 N--CA 1.488 1.445 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 300' ' ' LYS . . . . . 0.578 ' NZ ' ' O ' ' A' ' 144' ' ' MET . 1.8 tmtm? -62.12 -35.24 78.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.261 0.553 . . . . 0.0 109.837 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 301' ' ' SER . . . . . . . . . . . . . 11.5 t -57.9 -43.47 86.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.282 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 302' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -60.5 -40.62 92.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.023 0.44 . . . . 0.0 110.529 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 303' ' ' TRP . . . . . 0.423 ' CD1' ' HE3' ' A' ' 144' ' ' MET . 66.2 m95 -59.72 -46.28 89.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.95 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 304' ' ' LYS . . . . . 0.527 ' NZ ' ' OE2' ' A' ' 11' ' ' GLU . 97.4 mttt -60.3 -40.26 89.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.859 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 305' ' ' GLN . . . . . 0.456 ' HG2' ' HB2' ' A' ' 15' ' ' ALA . 96.7 mt-30 -55.02 -69.44 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.1 87.39 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.061 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -60.32 -53.28 59.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.08 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 308' ' ' ASN . . . . . 0.409 ' O ' HG12 ' B' ' 312' ' ' VAL . 91.1 m-20 -64.87 -40.27 94.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.108 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 309' ' ' ALA . . . . . 0.702 ' O ' HG23 ' B' ' 313' ' ' VAL . . . -55.25 -48.61 73.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.265 0.555 . . . . 0.0 111.309 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 310' ' ' THR . . . . . . . . . . . . . 39.9 p -71.21 -38.25 72.05 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.267 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.07 -49.41 67.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.339 0.59 . . . . 0.0 111.892 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 312' ' ' VAL . . . . . 0.412 HG13 ' N ' ' B' ' 313' ' ' VAL . 7.1 p -65.01 -36.08 76.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.051 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 313' ' ' VAL . . . . . 0.702 HG23 ' O ' ' B' ' 309' ' ' ALA . 37.3 t -60.55 -48.25 89.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.912 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 314' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 83' ' ' GLU . 15.8 ptm180 -68.33 -32.88 73.31 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.322 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 315' ' ' HIS . . . . . 0.503 ' NE2' HD11 ' B' ' 319' ' ' LEU . 72.3 t60 -77.41 -53.74 7.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.175 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 316' ' ' MET . . . . . . . . . . . . . 77.9 mmm -61.71 -42.04 98.41 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -68.02 -35.94 79.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.281 0.562 . . . . 0.0 110.716 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 318' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -63.3 -42.57 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.863 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.503 HD11 ' NE2' ' B' ' 315' ' ' HIS . 88.2 mt -56.92 -23.23 43.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.557 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 320' ' ' GLN . . . . . 0.453 ' NE2' ' N ' ' A' ' 51' ' ' MET . 71.8 mt-30 . . . . . 0 C--N 1.325 -0.491 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.481 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_